3,4,4-trimethyl-N-[(E)-2-methylpent-2-enyl]cyclohexan-1-amine

C15H29N — CID 138598747

IUPAC3,4,4-trimethyl-N-[(E)-2-methylpent-2-enyl]cyclohexan-1-amine
SMILESCC/C=C(\C)CNC1CCC(C)(C)C(C)C1
InChIInChI=1S/C15H29N/c1-6-7-12(2)11-16-14-8-9-15(4,5)13(3)10-14/h7,13-14,16H,6,8-11H2,1-5H3/b12-7+
InChIKeyWXQJJXLOSAEESD-KPKJPENVSA-N
MW223.40 g/mol
LogP4.15
Rot. Bonds4

About 3,4,4-trimethyl-N-[(E)-2-methylpent-2-enyl]cyclohexan-1-amine

3,4,4-trimethyl-N-[(E)-2-methylpent-2-enyl]cyclohexan-1-amine (PubChem CID 138598747) has the molecular formula C15H29N and a molecular weight of 223.40 g/mol. Its IUPAC name is 3,4,4-trimethyl-N-[(E)-2-methylpent-2-enyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,4,4-trimethyl-N-[(E)-2-methylpent-2-enyl]cyclohexan-1-amine
PubChem CID138598747
Molecular FormulaC15H29N
Molecular Weight223.40 g/mol
Exact Mass223.23
IUPAC Name3,4,4-trimethyl-N-[(E)-2-methylpent-2-enyl]cyclohexan-1-amine
SMILESCC/C=C(\C)CNC1CCC(C)(C)C(C)C1
InChIInChI=1S/C15H29N/c1-6-7-12(2)11-16-14-8-9-15(4,5)13(3)10-14/h7,13-14,16H,6,8-11H2,1-5H3/b12-7+
InChIKeyWXQJJXLOSAEESD-KPKJPENVSA-N
XLogP4.15
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.40
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[(1R)-4-methylcyclohex-3-en-1-yl]-N-propan-2-ylbutan-1-amine
CID 46886826
N-[(6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl)methyl]propan-2-amine
CID 134895590
(E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine
CID 134999587
4-[[4-[[(4R)-4-isopropenylcyclohexen-1-yl]methylamino]-2-methyl-cyclohexyl]methyl]-3-methyl-cyclohexanamine
CID 6480538
3-methyl-4-[[2-methyl-4-[[(4E)-1,5,9-trimethyldeca-4,8-dienyl]amino]cyclohexyl]methyl]cyclohexanamine
CID 6483670
3-[(4R)-4-methylcyclohexen-1-yl]-N-propan-2-ylbutan-1-amine
CID 21158872
3-[(4S)-4-methylcyclohexen-1-yl]-N-propan-2-ylbutan-1-amine
CID 21158878
N-but-3-enyl-4-tert-butylcyclohexan-1-amine
CID 57591335
4-tert-butyl-N-methyl-3-prop-2-enylcyclohexan-1-amine
CID 58661856
5-methyl-2-propan-2-yl-N-prop-2-enylcyclohex-2-en-1-amine
CID 68130660
4-ethenyl-N,3,3,5,5-pentamethylcyclohexan-1-amine
CID 69815002
N-propyl-1,2,3,4,4a,5,6,7-octahydronaphthalen-1-amine
CID 70067202

Frequently Asked Questions

What is the IUPAC name of 3,4,4-trimethyl-N-[(E)-2-methylpent-2-enyl]cyclohexan-1-amine?
The IUPAC name of 3,4,4-trimethyl-N-[(E)-2-methylpent-2-enyl]cyclohexan-1-amine (CID 138598747) is 3,4,4-trimethyl-N-[(E)-2-methylpent-2-enyl]cyclohexan-1-amine.
What is the SMILES notation for 3,4,4-trimethyl-N-[(E)-2-methylpent-2-enyl]cyclohexan-1-amine?
The canonical SMILES for 3,4,4-trimethyl-N-[(E)-2-methylpent-2-enyl]cyclohexan-1-amine is CC/C=C(\C)CNC1CCC(C)(C)C(C)C1.
What is the InChIKey of 3,4,4-trimethyl-N-[(E)-2-methylpent-2-enyl]cyclohexan-1-amine?
The InChIKey is WXQJJXLOSAEESD-KPKJPENVSA-N. The full InChI is InChI=1S/C15H29N/c1-6-7-12(2)11-16-14-8-9-15(4,5)13(3)10-14/h7,13-14,16H,6,8-11H2,1-5H3/b12-7+.
What are the key properties of 3,4,4-trimethyl-N-[(E)-2-methylpent-2-enyl]cyclohexan-1-amine?
3,4,4-trimethyl-N-[(E)-2-methylpent-2-enyl]cyclohexan-1-amine has a molecular weight of 223.40 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4-trimethyl-N-[(E)-2-methylpent-2-enyl]cyclohexan-1-amine is sourced from PubChem (CID 138598747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).