ethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene

C33H67N3 — CID 176966733

IUPACethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene
SMILESC=C(/C(C)=C\C=C(C)C)C(C)(C)C.C=C(/C=C(\C)NC(=C)N=C(C)C)CNC.CC.CC.CC.CC
InChIInChI=1S/C13H22.C12H21N3.4C2H6/c1-10(2)8-9-11(3)12(4)13(5,6)7;1-9(2)14-12(5)15-11(4)7-10(3)8-13-6;4*1-2/h8-9H,4H2,1-3,5-7H3;7,13,15H,3,5,8H2,1-2,4,6H3;4*1-2H3/b11-9-;11-7+;;;;
InChIKeyFALVJZYDKHQXGG-MDVNSKGESA-N
MW505.92 g/mol
LogP10.81
Rot. Bonds8

About ethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene

ethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene (PubChem CID 176966733) has the molecular formula C33H67N3 and a molecular weight of 505.92 g/mol. Its IUPAC name is ethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene.

Molecular Properties

Compound Nameethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene
PubChem CID176966733
Molecular FormulaC33H67N3
Molecular Weight505.92 g/mol
Exact Mass505.53
IUPAC Nameethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene
SMILESC=C(/C(C)=C\C=C(C)C)C(C)(C)C.C=C(/C=C(\C)NC(=C)N=C(C)C)CNC.CC.CC.CC.CC
InChIInChI=1S/C13H22.C12H21N3.4C2H6/c1-10(2)8-9-11(3)12(4)13(5,6)7;1-9(2)14-12(5)15-11(4)7-10(3)8-13-6;4*1-2/h8-9H,4H2,1-3,5-7H3;7,13,15H,3,5,8H2,1-2,4,6H3;4*1-2H3/b11-9-;11-7+;;;;
InChIKeyFALVJZYDKHQXGG-MDVNSKGESA-N
XLogP10.81
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.92
LogP ≤ 510.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene with MolForge

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Related Compounds

(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene
CID 176966734
N,4-dimethyl-2-methylidenepent-3-en-1-amine
CID 146927478
(E)-4-methoxy-N-methyl-2-methylidenepent-3-en-1-amine
CID 142133536
2-(methylaminomethyl)prop-2-enal
CID 154323639
N-methyl-2-[(Z)-(methylhydrazinylidene)methyl]prop-2-en-1-amine
CID 143109432
(4E)-N,2,2,7-tetramethyl-3-methylidene-N-[(Z)-prop-2-enylideneamino]octa-4,6-dien-4-amine
CID 170123214
methyl 5-[[(E)-2-methylidene-4-[[4-(trifluoromethyl)cyclohexanecarbonyl]amino]pent-3-enyl]amino]-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
CID 144657295
(2E)-N,3,5-trimethyl-2-prop-1-en-2-ylhexa-2,4-dien-1-amine
CID 142345923
(5E)-2,2,5,9-tetramethyl-3-methylidenedeca-5,9-dien-4-one
CID 100994189
(7Z)-2,9,9-trimethyl-6-methylidene-8-(methyliminomethyl)deca-2,7-dien-4-one
CID 146318276
2,2-dimethyl-N-prop-1-en-2-ylpropanamide
CID 89153386
(5E)-N-[(3Z)-3,6-dimethylhepta-1,3,5-trien-2-yl]-5-ethenylhepta-1,5-dien-4-imine
CID 138648661

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene?
The IUPAC name of ethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene (CID 176966733) is ethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene.
What is the SMILES notation for ethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene?
The canonical SMILES for ethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene is C=C(/C(C)=C\C=C(C)C)C(C)(C)C.C=C(/C=C(\C)NC(=C)N=C(C)C)CNC.CC.CC.CC.CC.
What is the InChIKey of ethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene?
The InChIKey is FALVJZYDKHQXGG-MDVNSKGESA-N. The full InChI is InChI=1S/C13H22.C12H21N3.4C2H6/c1-10(2)8-9-11(3)12(4)13(5,6)7;1-9(2)14-12(5)15-11(4)7-10(3)8-13-6;4*1-2/h8-9H,4H2,1-3,5-7H3;7,13,15H,3,5,8H2,1-2,4,6H3;4*1-2H3/b11-9-;11-7+;;;;.
What are the key properties of ethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene?
ethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene has a molecular weight of 505.92 g/mol, XLogP of 10.81, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-1-N-methyl-2-methylidene-4-N-[1-(propan-2-ylideneamino)ethenyl]pent-3-ene-1,4-diamine;(4Z)-2,5,7,7-tetramethyl-6-methylideneocta-2,4-diene is sourced from PubChem (CID 176966733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).