N-(1-cyclobutylethyl)cyclohex-2-en-1-amine

C12H21N — CID 103903529

IUPACN-(1-cyclobutylethyl)cyclohex-2-en-1-amine
SMILESCC(NC1C=CCCC1)C1CCC1
InChIInChI=1S/C12H21N/c1-10(11-6-5-7-11)13-12-8-3-2-4-9-12/h3,8,10-13H,2,4-7,9H2,1H3
InChIKeyQWAUOLSAMUHGJZ-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.87
Rot. Bonds3

About N-(1-cyclobutylethyl)cyclohex-2-en-1-amine

N-(1-cyclobutylethyl)cyclohex-2-en-1-amine (PubChem CID 103903529) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)cyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)cyclohex-2-en-1-amine
PubChem CID103903529
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-(1-cyclobutylethyl)cyclohex-2-en-1-amine
SMILESCC(NC1C=CCCC1)C1CCC1
InChIInChI=1S/C12H21N/c1-10(11-6-5-7-11)13-12-8-3-2-4-9-12/h3,8,10-13H,2,4-7,9H2,1H3
InChIKeyQWAUOLSAMUHGJZ-UHFFFAOYSA-N
XLogP2.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.87
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-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
CID 104531391
N-(4-methylpent-1-yn-3-yl)cyclohex-2-en-1-amine
CID 130481453
2-(cyclohex-2-en-1-ylamino)propane-1,3-diol
CID 107907132
N-(1-phenylethyl)cyclohex-2-en-1-amine
CID 103846518
2-(cyclohex-2-en-1-ylamino)-3-methylbutanamide
CID 103914307
5-[1-(cyclohex-2-en-1-ylamino)ethyl]thiophene-2-carbonitrile
CID 115903686
N-cyclohex-2-en-1-ylcyclooctanamine
CID 103830652
N-(1-pyridin-2-ylethyl)cyclohex-2-en-1-amine
CID 115893628
N-[(1S)-1-(3-chlorophenyl)ethyl]cyclohex-2-en-1-amine
CID 107907455
N-[1-(2,5-dimethylfuran-3-yl)ethyl]cyclohex-2-en-1-amine
CID 104579144
2-(cyclohex-2-en-1-ylamino)-N-ethyl-N-methylpropanamide
CID 107908317
N-[1-(3-bromothiophen-2-yl)ethyl]cyclohex-2-en-1-amine
CID 115893699

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)cyclohex-2-en-1-amine?
The IUPAC name of N-(1-cyclobutylethyl)cyclohex-2-en-1-amine (CID 103903529) is N-(1-cyclobutylethyl)cyclohex-2-en-1-amine.
What is the SMILES notation for N-(1-cyclobutylethyl)cyclohex-2-en-1-amine?
The canonical SMILES for N-(1-cyclobutylethyl)cyclohex-2-en-1-amine is CC(NC1C=CCCC1)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)cyclohex-2-en-1-amine?
The InChIKey is QWAUOLSAMUHGJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-10(11-6-5-7-11)13-12-8-3-2-4-9-12/h3,8,10-13H,2,4-7,9H2,1H3.
What are the key properties of N-(1-cyclobutylethyl)cyclohex-2-en-1-amine?
N-(1-cyclobutylethyl)cyclohex-2-en-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)cyclohex-2-en-1-amine is sourced from PubChem (CID 103903529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).