N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine

C15H27N — CID 107907027

IUPACN-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine
SMILESCC1CCCC(CCNC2C=CCCC2)C1
InChIInChI=1S/C15H27N/c1-13-6-5-7-14(12-13)10-11-16-15-8-3-2-4-9-15/h3,8,13-16H,2,4-7,9-12H2,1H3
InChIKeyMOSVDLILXAUASD-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.90
Rot. Bonds4

About N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine

N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine (PubChem CID 107907027) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine
PubChem CID107907027
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine
SMILESCC1CCCC(CCNC2C=CCCC2)C1
InChIInChI=1S/C15H27N/c1-13-6-5-7-14(12-13)10-11-16-15-8-3-2-4-9-15/h3,8,13-16H,2,4-7,9-12H2,1H3
InChIKeyMOSVDLILXAUASD-UHFFFAOYSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
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-[(3-methylcyclopentyl)methyl]cyclohex-2-en-1-amine
CID 107908398
N-[2-(1-methylpiperidin-4-yl)ethyl]cyclohex-2-en-1-amine
CID 107908235
3,5-dimethyl-N-[2-(3-methylcyclohexyl)ethyl]cyclohexan-1-amine
CID 64753022
4-[2-(3-methylcyclohexyl)ethylamino]cyclohexan-1-ol
CID 106594675
N-cyclohex-2-en-1-yl-N',N'-dimethylethane-1,2-diamine
CID 103867344
N-[2-(3-methylcyclohexyl)ethyl]-4-propan-2-ylcycloheptan-1-amine
CID 65091288
N-(2-cyclobutylethyl)-3-methylcyclohexan-1-amine
CID 115690272
N-propylcyclooct-2-en-1-amine
CID 123644376
ethane;N-ethyl-2-[(1S)-3-methylcyclohexyl]ethanamine
CID 145095472
N-(3-methylcyclopentyl)cyclohex-2-en-1-amine
CID 115893652
5-(cyclohex-2-en-1-ylamino)pentan-2-ol
CID 106131433
N-(4-methylsulfanylbutyl)cyclohex-2-en-1-amine
CID 107234447

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine?
The IUPAC name of N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine (CID 107907027) is N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine.
What is the SMILES notation for N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine?
The canonical SMILES for N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine is CC1CCCC(CCNC2C=CCCC2)C1.
What is the InChIKey of N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine?
The InChIKey is MOSVDLILXAUASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-13-6-5-7-14(12-13)10-11-16-15-8-3-2-4-9-15/h3,8,13-16H,2,4-7,9-12H2,1H3.
What are the key properties of N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine?
N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine has a molecular weight of 221.39 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylcyclohexyl)ethyl]cyclohex-2-en-1-amine is sourced from PubChem (CID 107907027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).