N-cyclobutyl-3-pent-1-en-2-ylcyclohexan-1-amine

C15H27N — CID 165128998

IUPACN-cyclobutyl-3-pent-1-en-2-ylcyclohexan-1-amine
SMILESC=C(CCC)C1CCCC(NC2CCC2)C1
InChIInChI=1S/C15H27N/c1-3-6-12(2)13-7-4-10-15(11-13)16-14-8-5-9-14/h13-16H,2-11H2,1H3
InChIKeyXSHYGYVEBCEDSP-UHFFFAOYSA-N
MW221.39 g/mol
LogP4.04
Rot. Bonds5

About N-cyclobutyl-3-pent-1-en-2-ylcyclohexan-1-amine

N-cyclobutyl-3-pent-1-en-2-ylcyclohexan-1-amine (PubChem CID 165128998) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is N-cyclobutyl-3-pent-1-en-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-cyclobutyl-3-pent-1-en-2-ylcyclohexan-1-amine
PubChem CID165128998
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC NameN-cyclobutyl-3-pent-1-en-2-ylcyclohexan-1-amine
SMILESC=C(CCC)C1CCCC(NC2CCC2)C1
InChIInChI=1S/C15H27N/c1-3-6-12(2)13-7-4-10-15(11-13)16-14-8-5-9-14/h13-16H,2-11H2,1H3
InChIKeyXSHYGYVEBCEDSP-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.04
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-(cyclobutylamino)cyclohexane-1-carboxylic acid
CID 65066192
methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate
CID 113351735
3-[(1-ethylazepan-4-yl)amino]cyclohexane-1-carboxylic acid
CID 65077252
4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine
CID 65088157
3-[(1-propylpiperidin-4-yl)amino]cyclohexan-1-ol
CID 43751171
7-hept-1-en-2-yl-1,2,3,4,4a,5,6,7,8,9,10,10a-dodecahydrobenzo[8]annulene
CID 90977490
N-cyclobutyl-4-propylcycloheptan-1-amine
CID 65091278
3-cyclopentyl-N-methylbut-3-en-1-amine
CID 117269178
[3-[(1-propylpiperidin-4-yl)amino]cyclohexyl]methanol
CID 112753304
trans-(1R,3R)-3-methyl-N-[(1S,3S)-3-methylcyclohexyl]cyclohexan-1-amine
CID 99646097
3-(cyclohexylamino)cyclohexan-1-ol
CID 43751273
N-[(1R,3R)-3-methylcyclopentyl]cyclohexanamine
CID 95376125

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-3-pent-1-en-2-ylcyclohexan-1-amine?
The IUPAC name of N-cyclobutyl-3-pent-1-en-2-ylcyclohexan-1-amine (CID 165128998) is N-cyclobutyl-3-pent-1-en-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-cyclobutyl-3-pent-1-en-2-ylcyclohexan-1-amine?
The canonical SMILES for N-cyclobutyl-3-pent-1-en-2-ylcyclohexan-1-amine is C=C(CCC)C1CCCC(NC2CCC2)C1.
What is the InChIKey of N-cyclobutyl-3-pent-1-en-2-ylcyclohexan-1-amine?
The InChIKey is XSHYGYVEBCEDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-3-6-12(2)13-7-4-10-15(11-13)16-14-8-5-9-14/h13-16H,2-11H2,1H3.
What are the key properties of N-cyclobutyl-3-pent-1-en-2-ylcyclohexan-1-amine?
N-cyclobutyl-3-pent-1-en-2-ylcyclohexan-1-amine has a molecular weight of 221.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-3-pent-1-en-2-ylcyclohexan-1-amine is sourced from PubChem (CID 165128998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).