N-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine

C12H23N — CID 115755990

IUPACN-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine
SMILESC=CC(C)NC1CC(C)CC(C)C1
InChIInChI=1S/C12H23N/c1-5-11(4)13-12-7-9(2)6-10(3)8-12/h5,9-13H,1,6-8H2,2-4H3
InChIKeyXTKOCGZRCPSNKV-UHFFFAOYSA-N
MW181.32 g/mol
LogP2.98
Rot. Bonds3

About N-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine

N-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine (PubChem CID 115755990) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine
PubChem CID115755990
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine
SMILESC=CC(C)NC1CC(C)CC(C)C1
InChIInChI=1S/C12H23N/c1-5-11(4)13-12-7-9(2)6-10(3)8-12/h5,9-13H,1,6-8H2,2-4H3
InChIKeyXTKOCGZRCPSNKV-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
CID 21034318
N-but-3-en-2-ylcyclopentanamine
CID 115727919
trans-(3S,5S)-3,5-dimethyl-N-pentan-3-ylcyclohexan-1-amine
CID 96732201
N-but-3-en-2-yl-4-ethylcyclohexan-1-amine
CID 115727829
N-(1,1-dimethoxypropan-2-yl)-3,5-dimethylcyclohexan-1-amine
CID 64753219
(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol
CID 124576040
3-[(3,5-dimethylcyclohexyl)amino]butan-1-ol
CID 115338788
N-but-3-en-2-yl-1-cyclopropylpyrrolidin-3-amine
CID 115727974
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3,5-dimethylcyclohexan-1-amine
CID 64723595
3-[(3,5-dimethylcyclohexyl)amino]butanenitrile
CID 64722971
3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine
CID 115751638
N-(3-methoxybutan-2-yl)-3-methylcyclobutan-1-amine
CID 115892458

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine?
The IUPAC name of N-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine (CID 115755990) is N-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine?
The canonical SMILES for N-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine is C=CC(C)NC1CC(C)CC(C)C1.
What is the InChIKey of N-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine?
The InChIKey is XTKOCGZRCPSNKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-5-11(4)13-12-7-9(2)6-10(3)8-12/h5,9-13H,1,6-8H2,2-4H3.
What are the key properties of N-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine?
N-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine has a molecular weight of 181.32 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-yl-3,5-dimethylcyclohexan-1-amine is sourced from PubChem (CID 115755990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).