butan-1-imine;(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine;fluoromethane;(E)-N-methylbut-2-en-2-amine;1-methyl-3-methylidenecyclobutene

C37H62F2N4 — CID 143342083

IUPACbutan-1-imine;(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine;fluoromethane;(E)-N-methylbut-2-en-2-amine;1-methyl-3-methylidenecyclobutene
SMILESC/C=C(\C)NC.C=C(NC/C(C=CCC)=C/C(=C)C(C)F)C(=C)/C(=C/N=C/C)CC.C=C1C=C(C)C1.CF.[H]/N=C/CCC
InChIInChI=1S/C21H31FN2.C6H8.C5H11N.C4H9N.CH3F/c1-8-11-12-20(13-16(4)18(6)22)14-24-19(7)17(5)21(9-2)15-23-10-3;1-5-3-6(2)4-5;1-4-5(2)6-3;1-2-3-4-5;1-2/h10-13,15,18,24H,4-5,7-9,14H2,1-3,6H3;3H,1,4H2,2H3;4,6H,1-3H3;4-5H,2-3H2,1H3;1H3/b12-11?,20-13+,21-15-,23-10+;;2*5-4+;
InChIKeyXTAVYUPYRDSGTJ-HMUFQWBXSA-N
MW600.93 g/mol
LogP10.88
Rot. Bonds14

About butan-1-imine;(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine;fluoromethane;(E)-N-methylbut-2-en-2-amine;1-methyl-3-methylidenecyclobutene

butan-1-imine;(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine;fluoromethane;(E)-N-methylbut-2-en-2-amine;1-methyl-3-methylidenecyclobutene (PubChem CID 143342083) has the molecular formula C37H62F2N4 and a molecular weight of 600.93 g/mol. Its IUPAC name is butan-1-imine;(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine;fluoromethane;(E)-N-methylbut-2-en-2-amine;1-methyl-3-methylidenecyclobutene.

Molecular Properties

Compound Namebutan-1-imine;(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine;fluoromethane;(E)-N-methylbut-2-en-2-amine;1-methyl-3-methylidenecyclobutene
PubChem CID143342083
Molecular FormulaC37H62F2N4
Molecular Weight600.93 g/mol
Exact Mass600.49
IUPAC Namebutan-1-imine;(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine;fluoromethane;(E)-N-methylbut-2-en-2-amine;1-methyl-3-methylidenecyclobutene
SMILESC/C=C(\C)NC.C=C(NC/C(C=CCC)=C/C(=C)C(C)F)C(=C)/C(=C/N=C/C)CC.C=C1C=C(C)C1.CF.[H]/N=C/CCC
InChIInChI=1S/C21H31FN2.C6H8.C5H11N.C4H9N.CH3F/c1-8-11-12-20(13-16(4)18(6)22)14-24-19(7)17(5)21(9-2)15-23-10-3;1-5-3-6(2)4-5;1-4-5(2)6-3;1-2-3-4-5;1-2/h10-13,15,18,24H,4-5,7-9,14H2,1-3,6H3;3H,1,4H2,2H3;4,6H,1-3H3;4-5H,2-3H2,1H3;1H3/b12-11?,20-13+,21-15-,23-10+;;2*5-4+;
InChIKeyXTAVYUPYRDSGTJ-HMUFQWBXSA-N
XLogP10.88
TPSA60.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500600.93
LogP ≤ 510.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze butan-1-imine;(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine;fluoromethane;(E)-N-methylbut-2-en-2-amine;1-methyl-3-methylidenecyclobutene with MolForge

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Related Compounds

(Z)-1-N-(4-fluoro-5-methylcyclohexa-1,5-dien-1-yl)-5-[[(Z)-2-fluoro-3-(propylamino)but-2-enylidene]amino]pent-1-ene-1,2-diamine
CID 130321334
2-N-[(3Z,5Z)-7-[[[(5E)-3-[(E)-1-(ethylideneamino)prop-1-en-2-yl]imino-6,7-dimethylocta-1,5,7-trien-2-yl]amino]methyl]-4-fluoroocta-3,5,7-trien-3-yl]-3,4-dimethylidenecyclobutene-1,2-diamine
CID 143344314
(2E)-2-ethylidene-1-N-methyl-3-N-[(Z)-3-[[(Z)-3-(3-methylcyclohexa-1,3-dien-1-yl)-3-(propylideneamino)prop-2-enyl]amino]prop-1-enyl]-3-(trifluoromethyl)pent-4-ene-1,3-diamine
CID 156578570
(E,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[N-methyl-C-[2-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]ethyl]carbonimidoyl]pent-2-en-1-amine
CID 167255519
(Z,4E)-4-[(2E)-2-but-3-en-2-ylidene-1H-pyrrol-3-ylidene]-N,3-dimethyl-2-[4-[[(E)-3-(methylideneamino)-2-(trifluoromethyl)prop-2-enylidene]amino]but-1-en-2-yl]pent-2-en-1-amine
CID 167255954
(E)-N-[(1E,3E)-1-(3,3-difluorobutan-2-ylideneamino)hepta-1,3-dien-2-yl]-2-[(Z)-prop-1-enyl]imino-3-propylhex-3-en-1-amine
CID 169205430
(4Z)-5-N-butyl-3-N-[(1Z,3E)-2-[(3E)-4-(ethylideneamino)-4-fluorobuta-1,3-dien-2-yl]-4-(trifluoromethyl)hexa-1,3,5-trienyl]-5-N-methyl-4-[(3Z,5Z)-4-methylocta-3,5-dienyl]hepta-1,2,4,6-tetraene-3,5-diamine
CID 176539760
(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine
CID 143342084
(4Z,7E)-4-ethyl-5-(ethylideneamino)-2-N-[(4-fluoro-3-methylcyclohepta-1,3,5-trien-1-yl)methyl]-3-methylidenenona-1,4,7-triene-2,7-diamine
CID 143343651
(4E)-2-N-[[7-(1,1-difluoroethyl)-1-azacyclohepta-2,4,5,7-tetraen-4-yl]methyl]-4-ethyl-6-methyl-3-methylidene-7-N-[(E)-2-[(Z)-prop-1-enyl]pent-2-enyl]octa-1,4,7-triene-2,7-diamine
CID 143344415
(4Z,7E)-4-ethyl-5-(ethylideneamino)-2-N-[(4-fluoro-3-methylcyclohepta-1,3,5-trien-1-yl)methyl]-3-methylidenenona-1,4,7-triene-2,7-diamine;(3E,5E)-2,3,6-trimethylocta-1,3,5-triene
CID 143343650
(E,4E)-2,3-dimethyl-N'-(2-methyl-3,4-dimethylidenecyclobuten-1-yl)-N-[(4E)-5-methyl-3-methylidene-6-[[(8E)-3-methylideneundeca-1,8,10-trien-4-yl]amino]hepta-1,4,6-trien-2-yl]-4-prop-2-enylidenepent-2-ene-1,5-diamine;ethane;N-[(Z)-prop-1-enyl]propan-2-imine
CID 143346719

Frequently Asked Questions

What is the IUPAC name of butan-1-imine;(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine;fluoromethane;(E)-N-methylbut-2-en-2-amine;1-methyl-3-methylidenecyclobutene?
The IUPAC name of butan-1-imine;(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine;fluoromethane;(E)-N-methylbut-2-en-2-amine;1-methyl-3-methylidenecyclobutene (CID 143342083) is butan-1-imine;(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine;fluoromethane;(E)-N-methylbut-2-en-2-amine;1-methyl-3-methylidenecyclobutene.
What is the SMILES notation for butan-1-imine;(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine;fluoromethane;(E)-N-methylbut-2-en-2-amine;1-methyl-3-methylidenecyclobutene?
The canonical SMILES for butan-1-imine;(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine;fluoromethane;(E)-N-methylbut-2-en-2-amine;1-methyl-3-methylidenecyclobutene is C/C=C(\C)NC.C=C(NC/C(C=CCC)=C/C(=C)C(C)F)C(=C)/C(=C/N=C/C)CC.C=C1C=C(C)C1.CF.[H]/N=C/CCC.
What is the InChIKey of butan-1-imine;(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine;fluoromethane;(E)-N-methylbut-2-en-2-amine;1-methyl-3-methylidenecyclobutene?
The InChIKey is XTAVYUPYRDSGTJ-HMUFQWBXSA-N. The full InChI is InChI=1S/C21H31FN2.C6H8.C5H11N.C4H9N.CH3F/c1-8-11-12-20(13-16(4)18(6)22)14-24-19(7)17(5)21(9-2)15-23-10-3;1-5-3-6(2)4-5;1-4-5(2)6-3;1-2-3-4-5;1-2/h10-13,15,18,24H,4-5,7-9,14H2,1-3,6H3;3H,1,4H2,2H3;4,6H,1-3H3;4-5H,2-3H2,1H3;1H3/b12-11?,20-13+,21-15-,23-10+;;2*5-4+;.
What are the key properties of butan-1-imine;(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine;fluoromethane;(E)-N-methylbut-2-en-2-amine;1-methyl-3-methylidenecyclobutene?
butan-1-imine;(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine;fluoromethane;(E)-N-methylbut-2-en-2-amine;1-methyl-3-methylidenecyclobutene has a molecular weight of 600.93 g/mol, XLogP of 10.88, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-imine;(E)-2-but-1-enyl-N-[(4Z)-4-[(ethylideneamino)methylidene]-3-methylidenehex-1-en-2-yl]-5-fluoro-4-methylidenehex-2-en-1-amine;fluoromethane;(E)-N-methylbut-2-en-2-amine;1-methyl-3-methylidenecyclobutene is sourced from PubChem (CID 143342083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).