N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine

C15H27N — CID 79835364

IUPACN-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCC1CC=CCC1
InChIInChI=1S/C15H27N/c1-15(2)11-7-6-10-14(15)16-12-13-8-4-3-5-9-13/h3-4,13-14,16H,5-12H2,1-2H3
InChIKeyNJRCHXJIPUFJEC-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.90
Rot. Bonds3

About N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine

N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine (PubChem CID 79835364) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine
PubChem CID79835364
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCCC1NCC1CC=CCC1
InChIInChI=1S/C15H27N/c1-15(2)11-7-6-10-14(15)16-12-13-8-4-3-5-9-13/h3-4,13-14,16H,5-12H2,1-2H3
InChIKeyNJRCHXJIPUFJEC-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.90
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

N-(cycloheptylmethyl)-2,2-dimethylcyclohexan-1-amine
CID 79860846
[(1S,2S)-2-[[(1R)-cyclohex-3-en-1-yl]methylamino]-1-methylcyclopentyl]methanol
CID 97240106
N-(cyclooctylmethyl)-2,2-dimethylcyclopentan-1-amine
CID 114207760
N-(cyclohex-3-en-1-ylmethyl)cyclododecanamine
CID 63478638
2,2-dimethyl-N-(thiolan-3-ylmethyl)cyclohexan-1-amine
CID 107132224
N-(cyclohex-3-en-1-ylmethyl)-3-methoxy-2,2-dimethylcyclobutan-1-amine
CID 103838469
N-[(1,1-dioxothiolan-3-yl)methyl]-2,2-dimethylcyclohexan-1-amine
CID 79835884
2,2-dimethyl-N-(piperidin-3-ylmethyl)cyclohexan-1-amine
CID 80554356
2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 79834755
2-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclopentan-1-ol
CID 79836296
(1S)-N-[(1,1-dioxothian-4-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 97108411
4-[[(2,2-dimethylcyclohexyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79852877

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine (CID 79835364) is N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine is CC1(C)CCCCC1NCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
The InChIKey is NJRCHXJIPUFJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-15(2)11-7-6-10-14(15)16-12-13-8-4-3-5-9-13/h3-4,13-14,16H,5-12H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine?
N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-2,2-dimethylcyclohexan-1-amine is sourced from PubChem (CID 79835364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).