5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine

C21H36N2 — CID 123645917

IUPAC5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine
SMILES[H]/N=C(\C(=C)C(C)C(C)CCN(C)CCC)C1=CCC=CCCC1
InChIInChI=1S/C21H36N2/c1-6-15-23(5)16-14-17(2)18(3)19(4)21(22)20-12-10-8-7-9-11-13-20/h7-8,12,17-18,22H,4,6,9-11,13-16H2,1-3,5H3/b8-7?,20-12?,22-21+
InChIKeyAVMYHCPPPYMXFM-GHQKEATHSA-N
MW316.53 g/mol
LogP5.62
Rot. Bonds9

About 5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine

5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine (PubChem CID 123645917) has the molecular formula C21H36N2 and a molecular weight of 316.53 g/mol. Its IUPAC name is 5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine.

Molecular Properties

Compound Name5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine
PubChem CID123645917
Molecular FormulaC21H36N2
Molecular Weight316.53 g/mol
Exact Mass316.29
IUPAC Name5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine
SMILES[H]/N=C(\C(=C)C(C)C(C)CCN(C)CCC)C1=CCC=CCCC1
InChIInChI=1S/C21H36N2/c1-6-15-23(5)16-14-17(2)18(3)19(4)21(22)20-12-10-8-7-9-11-13-20/h7-8,12,17-18,22H,4,6,9-11,13-16H2,1-3,5H3/b8-7?,20-12?,22-21+
InChIKeyAVMYHCPPPYMXFM-GHQKEATHSA-N
XLogP5.62
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.53
LogP ≤ 55.62
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

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
1-Cycloocta-1,4-dien-1-yl-3,4-dimethyl-2-methylidene-6-(4-propylpiperazin-1-yl)hexan-1-imine
CID 123916865
(7E)-6-imino-N-methyl-7-(3-methylbut-3-en-2-yl)-3,5-dimethylidene-N-propyldodeca-7,10-dien-1-amine
CID 123979813
N-[(Z)-2-[C-(3-ethyl-4,4-dimethylcyclohexen-1-yl)-N-methylcarbonimidoyl]but-2-enyl]-N,4,4-trimethylpentan-1-amine
CID 155129926
(E)-2-ethenyl-1-N-ethyl-1-N,4,7-trimethyl-6-methyliminonon-7-ene-1,8-diamine
CID 156479521
(Z)-7-[(Z)-dec-4-enyl]-8-ethyl-5-imino-N,N-dimethyloctadec-12-en-1-amine
CID 167038586

Frequently Asked Questions

What is the IUPAC name of 5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine?
The IUPAC name of 5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine (CID 123645917) is 5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine.
What is the SMILES notation for 5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine?
The canonical SMILES for 5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine is [H]/N=C(\C(=C)C(C)C(C)CCN(C)CCC)C1=CCC=CCCC1.
What is the InChIKey of 5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine?
The InChIKey is AVMYHCPPPYMXFM-GHQKEATHSA-N. The full InChI is InChI=1S/C21H36N2/c1-6-15-23(5)16-14-17(2)18(3)19(4)21(22)20-12-10-8-7-9-11-13-20/h7-8,12,17-18,22H,4,6,9-11,13-16H2,1-3,5H3/b8-7?,20-12?,22-21+.
What are the key properties of 5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine?
5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine has a molecular weight of 316.53 g/mol, XLogP of 5.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cycloocta-1,4-diene-1-carboximidoyl)-N,3,4-trimethyl-N-propylhex-5-en-1-amine is sourced from PubChem (CID 123645917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).