N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine

C12H21N — CID 130500255

IUPACN-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine
SMILESCC(NC1CCC2CC21)C1CCC1
InChIInChI=1S/C12H21N/c1-8(9-3-2-4-9)13-12-6-5-10-7-11(10)12/h8-13H,2-7H2,1H3
InChIKeyPAAHLAARQJIPJM-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.56
Rot. Bonds3

About N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine

N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine (PubChem CID 130500255) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine
PubChem CID130500255
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine
SMILESCC(NC1CCC2CC21)C1CCC1
InChIInChI=1S/C12H21N/c1-8(9-3-2-4-9)13-12-6-5-10-7-11(10)12/h8-13H,2-7H2,1H3
InChIKeyPAAHLAARQJIPJM-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine
CID 130525548
N-(1-cyclopropylethyl)bicyclo[3.1.0]hexan-2-amine
CID 130496523
N-[(1S)-1-cyclobutylethyl]-2-methylcyclobutan-1-amine
CID 130662747
N-[(1R)-1-cyclohexylethyl]-2,4-dimethylcyclohexan-1-amine
CID 81385364
N-[(1R)-1-cyclobutylethyl]-2-methylcyclopentan-1-amine
CID 130671622
N-(1-cyclopentylethyl)-2-methylcyclopentan-1-amine
CID 63277954
N-[(1S)-1-cyclohexylethyl]-3-cyclopropylcyclohexan-1-amine
CID 81387835
3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol
CID 130921043
N-[(1R)-1-cycloheptylethyl]-3-cyclopropylcyclohexan-1-amine
CID 81392588
N-(1-cyclopropylethyl)bicyclo[2.2.1]heptan-2-amine
CID 61308965
N-[(1S)-1-cyclohexylethyl]-2-methylcyclopentan-1-amine
CID 81387266
N-[(1S)-1-cycloheptylethyl]-2-methylcyclopentan-1-amine
CID 81391283

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine?
The IUPAC name of N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine (CID 130500255) is N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine.
What is the SMILES notation for N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine?
The canonical SMILES for N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine is CC(NC1CCC2CC21)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine?
The InChIKey is PAAHLAARQJIPJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-8(9-3-2-4-9)13-12-6-5-10-7-11(10)12/h8-13H,2-7H2,1H3.
What are the key properties of N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine?
N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine has a molecular weight of 179.31 g/mol, XLogP of 2.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine is sourced from PubChem (CID 130500255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).