1-(7-ethyl-4,7-dimethylcycloundecyl)-N-[2-imino-1-(3-propan-2-ylcyclopentyl)propyl]-3-methylpent-2-en-1-imine

C32H58N2 — CID 91610715

IUPAC1-(7-ethyl-4,7-dimethylcycloundecyl)-N-[2-imino-1-(3-propan-2-ylcyclopentyl)propyl]-3-methylpent-2-en-1-imine
SMILES[H]/N=C(\C)C(/N=C(\C=C(C)CC)C1CCCCC(C)(CC)CCC(C)CC1)C1CCC(C(C)C)C1
InChIInChI=1S/C32H58N2/c1-9-24(5)21-30(34-31(26(7)33)29-17-16-28(22-29)23(3)4)27-13-11-12-19-32(8,10-2)20-18-25(6)14-15-27/h21,23,25,27-29,31,33H,9-20,22H2,1-8H3/b24-21?,33-26+,34-30+
InChIKeyQYGYEBUPWLJFBH-MQMNYBBSSA-N
MW470.83 g/mol
LogP10.07
Rot. Bonds8

About 1-(7-ethyl-4,7-dimethylcycloundecyl)-N-[2-imino-1-(3-propan-2-ylcyclopentyl)propyl]-3-methylpent-2-en-1-imine

1-(7-ethyl-4,7-dimethylcycloundecyl)-N-[2-imino-1-(3-propan-2-ylcyclopentyl)propyl]-3-methylpent-2-en-1-imine (PubChem CID 91610715) has the molecular formula C32H58N2 and a molecular weight of 470.83 g/mol. Its IUPAC name is 1-(7-ethyl-4,7-dimethylcycloundecyl)-N-[2-imino-1-(3-propan-2-ylcyclopentyl)propyl]-3-methylpent-2-en-1-imine.

Molecular Properties

Compound Name1-(7-ethyl-4,7-dimethylcycloundecyl)-N-[2-imino-1-(3-propan-2-ylcyclopentyl)propyl]-3-methylpent-2-en-1-imine
PubChem CID91610715
Molecular FormulaC32H58N2
Molecular Weight470.83 g/mol
Exact Mass470.46
IUPAC Name1-(7-ethyl-4,7-dimethylcycloundecyl)-N-[2-imino-1-(3-propan-2-ylcyclopentyl)propyl]-3-methylpent-2-en-1-imine
SMILES[H]/N=C(\C)C(/N=C(\C=C(C)CC)C1CCCCC(C)(CC)CCC(C)CC1)C1CCC(C(C)C)C1
InChIInChI=1S/C32H58N2/c1-9-24(5)21-30(34-31(26(7)33)29-17-16-28(22-29)23(3)4)27-13-11-12-19-32(8,10-2)20-18-25(6)14-15-27/h21,23,25,27-29,31,33H,9-20,22H2,1-8H3/b24-21?,33-26+,34-30+
InChIKeyQYGYEBUPWLJFBH-MQMNYBBSSA-N
XLogP10.07
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.83
LogP ≤ 510.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-Cyclooctyl-4-ethyl-2-[5-ethyl-4-(4-ethylnonan-4-yl)-3,4-dimethylcyclononyl]-2,3-dihydroazepin-6-imine
CID 90953628
(3E,7E)-9-[cyclobutylidene-(3-methylcyclopentyl)methyl]-N-(3-ethyl-3-methylpentyl)-2,2,3,4,10-pentamethylundeca-3,7,9-trien-5-imine
CID 123575445
1-[4,5-dimethyl-2-(3-methylbutan-2-yl)-3,4-dihydro-2H-pyrrol-3-yl]but-2-en-1-imine
CID 123751081
(6E,8S)-6-ethylidene-4,8-dimethyl-2-methylimino-4-prop-1-en-2-yldecan-1-amine
CID 174113941

Frequently Asked Questions

What is the IUPAC name of 1-(7-ethyl-4,7-dimethylcycloundecyl)-N-[2-imino-1-(3-propan-2-ylcyclopentyl)propyl]-3-methylpent-2-en-1-imine?
The IUPAC name of 1-(7-ethyl-4,7-dimethylcycloundecyl)-N-[2-imino-1-(3-propan-2-ylcyclopentyl)propyl]-3-methylpent-2-en-1-imine (CID 91610715) is 1-(7-ethyl-4,7-dimethylcycloundecyl)-N-[2-imino-1-(3-propan-2-ylcyclopentyl)propyl]-3-methylpent-2-en-1-imine.
What is the SMILES notation for 1-(7-ethyl-4,7-dimethylcycloundecyl)-N-[2-imino-1-(3-propan-2-ylcyclopentyl)propyl]-3-methylpent-2-en-1-imine?
The canonical SMILES for 1-(7-ethyl-4,7-dimethylcycloundecyl)-N-[2-imino-1-(3-propan-2-ylcyclopentyl)propyl]-3-methylpent-2-en-1-imine is [H]/N=C(\C)C(/N=C(\C=C(C)CC)C1CCCCC(C)(CC)CCC(C)CC1)C1CCC(C(C)C)C1.
What is the InChIKey of 1-(7-ethyl-4,7-dimethylcycloundecyl)-N-[2-imino-1-(3-propan-2-ylcyclopentyl)propyl]-3-methylpent-2-en-1-imine?
The InChIKey is QYGYEBUPWLJFBH-MQMNYBBSSA-N. The full InChI is InChI=1S/C32H58N2/c1-9-24(5)21-30(34-31(26(7)33)29-17-16-28(22-29)23(3)4)27-13-11-12-19-32(8,10-2)20-18-25(6)14-15-27/h21,23,25,27-29,31,33H,9-20,22H2,1-8H3/b24-21?,33-26+,34-30+.
What are the key properties of 1-(7-ethyl-4,7-dimethylcycloundecyl)-N-[2-imino-1-(3-propan-2-ylcyclopentyl)propyl]-3-methylpent-2-en-1-imine?
1-(7-ethyl-4,7-dimethylcycloundecyl)-N-[2-imino-1-(3-propan-2-ylcyclopentyl)propyl]-3-methylpent-2-en-1-imine has a molecular weight of 470.83 g/mol, XLogP of 10.07, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-ethyl-4,7-dimethylcycloundecyl)-N-[2-imino-1-(3-propan-2-ylcyclopentyl)propyl]-3-methylpent-2-en-1-imine is sourced from PubChem (CID 91610715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).