N-but-3-enyl-2,6-dimethylcyclohexan-1-amine

C12H23N — CID 104577567

IUPACN-but-3-enyl-2,6-dimethylcyclohexan-1-amine
SMILESC=CCCNC1C(C)CCCC1C
InChIInChI=1S/C12H23N/c1-4-5-9-13-12-10(2)7-6-8-11(12)3/h4,10-13H,1,5-9H2,2-3H3
InChIKeyOZVYHDAYACCUTQ-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.98
Rot. Bonds4

About N-but-3-enyl-2,6-dimethylcyclohexan-1-amine

N-but-3-enyl-2,6-dimethylcyclohexan-1-amine (PubChem CID 104577567) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-but-3-enyl-2,6-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-but-3-enyl-2,6-dimethylcyclohexan-1-amine
PubChem CID104577567
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-but-3-enyl-2,6-dimethylcyclohexan-1-amine
SMILESC=CCCNC1C(C)CCCC1C
InChIInChI=1S/C12H23N/c1-4-5-9-13-12-10(2)7-6-8-11(12)3/h4,10-13H,1,5-9H2,2-3H3
InChIKeyOZVYHDAYACCUTQ-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 43181585
4-[(2,6-dimethylcyclohexyl)amino]butan-2-ol
CID 64912158
2,6-dimethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 43181783
N-(cyclopentylmethyl)-2,6-dimethylcyclohexan-1-amine
CID 43370923
N-but-3-enyl-3-(2-methylpropyl)cyclohexan-1-amine
CID 107428772
N-[3-(2-methoxyethoxy)propyl]-2,6-dimethylcyclohexan-1-amine
CID 43183035
2,3-dimethyl-N-prop-2-enylcyclohexan-1-amine
CID 60688769
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 106041165
N-(2,3-dimethylbutyl)-2,6-dimethylcyclohexan-1-amine
CID 64569259
N-but-3-enyl-2-cyclohexylcyclohexan-1-amine
CID 113465420
N-methyl-1-(2-methylcyclopentyl)hex-5-en-1-amine
CID 107189131
N-hept-6-enylcyclobutanamine
CID 107006782

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2,6-dimethylcyclohexan-1-amine?
The IUPAC name of N-but-3-enyl-2,6-dimethylcyclohexan-1-amine (CID 104577567) is N-but-3-enyl-2,6-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-but-3-enyl-2,6-dimethylcyclohexan-1-amine?
The canonical SMILES for N-but-3-enyl-2,6-dimethylcyclohexan-1-amine is C=CCCNC1C(C)CCCC1C.
What is the InChIKey of N-but-3-enyl-2,6-dimethylcyclohexan-1-amine?
The InChIKey is OZVYHDAYACCUTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-4-5-9-13-12-10(2)7-6-8-11(12)3/h4,10-13H,1,5-9H2,2-3H3.
What are the key properties of N-but-3-enyl-2,6-dimethylcyclohexan-1-amine?
N-but-3-enyl-2,6-dimethylcyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2,6-dimethylcyclohexan-1-amine is sourced from PubChem (CID 104577567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).