(7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine

C23H38N2 — CID 123979813

IUPAC(7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine
SMILES[H]/N=C(C(=C)CC(=C)CCN(C)CCC)/C(=C/CC=CC)C(C)C(=C)C
InChIInChI=1S/C23H38N2/c1-9-11-12-13-22(21(7)18(3)4)23(24)20(6)17-19(5)14-16-25(8)15-10-2/h9,11,13,21,24H,3,5-6,10,12,14-17H2,1-2,4,7-8H3/b11-9?,22-13+,24-23+
InChIKeyGOUDCOAMIFRFEP-UGLMBFNUSA-N
MW342.57 g/mol
LogP6.35
Rot. Bonds13

About (7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine

(7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine (PubChem CID 123979813) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is (7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine.

Molecular Properties

Compound Name(7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine
PubChem CID123979813
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name(7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine
SMILES[H]/N=C(C(=C)CC(=C)CCN(C)CCC)/C(=C/CC=CC)C(C)C(=C)C
InChIInChI=1S/C23H38N2/c1-9-11-12-13-22(21(7)18(3)4)23(24)20(6)17-19(5)14-16-25(8)15-10-2/h9,11,13,21,24H,3,5-6,10,12,14-17H2,1-2,4,7-8H3/b11-9?,22-13+,24-23+
InChIKeyGOUDCOAMIFRFEP-UGLMBFNUSA-N
XLogP6.35
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-19,19-difluoro-6-heptyl-4-imino-N,N-dimethyl-14-methylidenetetracos-17-en-1-amine
CID 167038708
1-(Cyclohexen-1-yl)-2-[4-(4-methylpiperidin-1-yl)cyclohexyl]prop-2-en-1-imine
CID 89563253
12-ethyl-8-imino-N,N,6,7,9,11,15,16-octamethyl-5-methylideneoctadec-6-en-2-amine
CID 123165317
(7Z)-6-imino-N-methyl-3,5-dimethylidene-7-(4-methylpent-4-en-2-yl)-8-(2-methylprop-2-enyl)-N-propyldodeca-7,10-dien-1-amine
CID 123332239
2-ethyl-N-(3-imino-4-methylpentyl)-7,12,16-trimethylheptadeca-11,15-dien-1-amine
CID 123367181
1-Cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-methylpiperazin-1-yl)hexan-1-imine
CID 123477319
1-cycloocta-1,4-dien-1-yl-6-(3,4-dimethyl-4H-pyridin-1-yl)-3,4-dimethyl-2-methylidenehexan-1-imine
CID 123574938
2-ethyl-3-(4-iminocyclohepta-2,5-dien-1-yl)-N,N-dimethylpentan-1-amine
CID 123594107
5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine
CID 123645917
1-Cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-propylpiperazin-1-yl)hexan-1-imine
CID 123916865
(E,7R,9S)-13-imino-N,2,9-trimethylpentadec-4-en-7-amine
CID 138632933
(12E,16Z)-17-methanimidoyl-23-methyl-22-methylidene-N-(8-methylnon-8-enyl)heptacosa-12,16-dien-1-amine
CID 146337044

Frequently Asked Questions

What is the IUPAC name of (7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine?
The IUPAC name of (7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine (CID 123979813) is (7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine.
What is the SMILES notation for (7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine?
The canonical SMILES for (7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine is [H]/N=C(C(=C)CC(=C)CCN(C)CCC)/C(=C/CC=CC)C(C)C(=C)C.
What is the InChIKey of (7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine?
The InChIKey is GOUDCOAMIFRFEP-UGLMBFNUSA-N. The full InChI is InChI=1S/C23H38N2/c1-9-11-12-13-22(21(7)18(3)4)23(24)20(6)17-19(5)14-16-25(8)15-10-2/h9,11,13,21,24H,3,5-6,10,12,14-17H2,1-2,4,7-8H3/b11-9?,22-13+,24-23+.
What are the key properties of (7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine?
(7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine has a molecular weight of 342.57 g/mol, XLogP of 6.35, 13 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine is sourced from PubChem (CID 123979813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).