2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine

C16H27N — CID 126714591

IUPAC2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine
SMILESC=C(CC1(C)CCCCC1)NC1C(=C)CC1C
InChIInChI=1S/C16H27N/c1-12-10-13(2)15(12)17-14(3)11-16(4)8-6-5-7-9-16/h13,15,17H,1,3,5-11H2,2,4H3
InChIKeyCGDKECXGZPFYFH-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.41
Rot. Bonds4

About 2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine

2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine (PubChem CID 126714591) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine
PubChem CID126714591
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine
SMILESC=C(CC1(C)CCCCC1)NC1C(=C)CC1C
InChIInChI=1S/C16H27N/c1-12-10-13(2)15(12)17-14(3)11-16(4)8-6-5-7-9-16/h13,15,17H,1,3,5-11H2,2,4H3
InChIKeyCGDKECXGZPFYFH-UHFFFAOYSA-N
XLogP4.41
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.41
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

2-fluoro-3,3,10-trimethyl-N-(3-methylbut-1-en-2-yl)undec-10-en-1-amine
CID 169881078
N-[1-(4-fluoro-4-methylcyclohexyl)-2-methylprop-2-enyl]-5-methylhex-1-en-2-amine
CID 142110250
N-(2,5-dimethylhex-1-en-3-yl)-4,4-dimethylhex-1-en-2-amine
CID 58185963
N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine
CID 58476300
1-cyclohexyl-N,5,5-trimethyl-7-methylidenenonan-2-amine
CID 91004662
N-[3-(1-butylcyclobutyl)-2-methylidenebutyl]-3,4-dimethylhexan-1-amine
CID 91323601
4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine
CID 122679841
N-heptan-4-yl-4,8-dimethylnona-1,8-dien-2-amine
CID 126510679
4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine
CID 126692502
2,5,5-trimethyl-3-methylidene-N-prop-1-en-2-ylheptan-4-amine
CID 129197644
N-butan-2-yl-3-(2-ethylcyclohexyl)but-1-en-2-amine
CID 132034085
2,8,8-trimethyl-N-prop-1-en-2-ylnon-1-en-3-amine
CID 132158714

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine?
The IUPAC name of 2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine (CID 126714591) is 2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine.
What is the SMILES notation for 2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine?
The canonical SMILES for 2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine is C=C(CC1(C)CCCCC1)NC1C(=C)CC1C.
What is the InChIKey of 2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine?
The InChIKey is CGDKECXGZPFYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-12-10-13(2)15(12)17-14(3)11-16(4)8-6-5-7-9-16/h13,15,17H,1,3,5-11H2,2,4H3.
What are the key properties of 2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine?
2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine is sourced from PubChem (CID 126714591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).