ethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide

C22H44N2 — CID 143929987

IUPACethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide
SMILESC=C.C=CC(=C)CN(C)/C=N/C(/C=C\CC)=C/C.CC.CC.CC
InChIInChI=1S/C14H22N2.3C2H6.C2H4/c1-6-9-10-14(8-3)15-12-16(5)11-13(4)7-2;4*1-2/h7-10,12H,2,4,6,11H2,1,3,5H3;3*1-2H3;1-2H2/b10-9-,14-8+,15-12+;;;;
InChIKeyFGOMLANSGAMBBL-YGGGHMSDSA-N
MW336.61 g/mol
LogP7.44
Rot. Bonds7

About ethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide

ethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide (PubChem CID 143929987) has the molecular formula C22H44N2 and a molecular weight of 336.61 g/mol. Its IUPAC name is ethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide.

Molecular Properties

Compound Nameethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide
PubChem CID143929987
Molecular FormulaC22H44N2
Molecular Weight336.61 g/mol
Exact Mass336.35
IUPAC Nameethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide
SMILESC=C.C=CC(=C)CN(C)/C=N/C(/C=C\CC)=C/C.CC.CC.CC
InChIInChI=1S/C14H22N2.3C2H6.C2H4/c1-6-9-10-14(8-3)15-12-16(5)11-13(4)7-2;4*1-2/h7-10,12H,2,4,6,11H2,1,3,5H3;3*1-2H3;1-2H2/b10-9-,14-8+,15-12+;;;;
InChIKeyFGOMLANSGAMBBL-YGGGHMSDSA-N
XLogP7.44
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.61
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-methyl-N'-[(2E,4E)-4-(trifluoromethyl)octa-2,4,7-trien-2-yl]methanimidamide
CID 146359505
N'-(3-fluorobuta-1,3-dien-2-yl)-N-[(3Z)-hexa-3,5-dienyl]-N-methylmethanimidamide
CID 156447090
azane;5-[(E)-but-1-enyl]-3-methyl-4H-pyrimidine
CID 67633893
N-hepta-3,5-dien-3-yl-N,N'-dimethylmethanimidamide
CID 123417471
1,5-dimethyl-6-[(6E,7Z)-8-methyl-6-propylidenedeca-4,7-dien-5-yl]-4H-pyrimidine
CID 134526418
3-(cyclohepta-1,3,6-trien-1-ylmethyl)-6-methyl-4H-pyrimidine
CID 135258687
(6E)-6-butylidene-1-[(Z)-prop-1-enyl]pyrimidine
CID 137445526
1-[(2E)-2-butylidene-1-pyridinyl]-N-methylmethanimine
CID 139397212
N-ethyl-N'-[(3Z)-hexa-1,3-dien-2-yl]-N-methylmethanimidamide
CID 139453805
N'-(1,3-diethyl-6-methyl-2H-pyridin-5-yl)-N,N-dimethylmethanimidamide
CID 140968291
ethane;N-ethenyl-N-[(2E)-2-ethenylpenta-2,4-dienyl]-N'-ethylmethanimidamide
CID 141875502
N'-methyl-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-3-yl]methanimidamide
CID 142041082

Frequently Asked Questions

What is the IUPAC name of ethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide?
The IUPAC name of ethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide (CID 143929987) is ethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide.
What is the SMILES notation for ethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide?
The canonical SMILES for ethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide is C=C.C=CC(=C)CN(C)/C=N/C(/C=C\CC)=C/C.CC.CC.CC.
What is the InChIKey of ethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide?
The InChIKey is FGOMLANSGAMBBL-YGGGHMSDSA-N. The full InChI is InChI=1S/C14H22N2.3C2H6.C2H4/c1-6-9-10-14(8-3)15-12-16(5)11-13(4)7-2;4*1-2/h7-10,12H,2,4,6,11H2,1,3,5H3;3*1-2H3;1-2H2/b10-9-,14-8+,15-12+;;;;.
What are the key properties of ethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide?
ethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide has a molecular weight of 336.61 g/mol, XLogP of 7.44, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethene;N'-[(2E,4Z)-hepta-2,4-dien-3-yl]-N-methyl-N-(2-methylidenebut-3-enyl)methanimidamide is sourced from PubChem (CID 143929987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).