N-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine

C13H23N — CID 130525548

IUPACN-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine
SMILESCC(NC1CCCC2CC21)C1CCC1
InChIInChI=1S/C13H23N/c1-9(10-4-2-5-10)14-13-7-3-6-11-8-12(11)13/h9-14H,2-8H2,1H3
InChIKeyNPGIVYSKDXWRAF-UHFFFAOYSA-N
MW193.33 g/mol
LogP2.95
Rot. Bonds3

About N-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine

N-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine (PubChem CID 130525548) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine
PubChem CID130525548
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC NameN-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine
SMILESCC(NC1CCCC2CC21)C1CCC1
InChIInChI=1S/C13H23N/c1-9(10-4-2-5-10)14-13-7-3-6-11-8-12(11)13/h9-14H,2-8H2,1H3
InChIKeyNPGIVYSKDXWRAF-UHFFFAOYSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclobutylethyl)bicyclo[3.1.0]hexan-2-amine
CID 130500255
N-(1-cyclopropylethyl)bicyclo[3.1.0]hexan-2-amine
CID 130496523
3-(2-bicyclo[4.1.0]heptanylamino)butan-2-ol
CID 130921043
N-[(1R)-1-cyclobutylethyl]-2-methylcyclopentan-1-amine
CID 130671622
N-(1-cyclopentylethyl)-2-methylcyclopentan-1-amine
CID 63277954
trans-(1S,2S)-2-[[(1R)-1-cyclopentylethyl]amino]cyclopentan-1-ol
CID 102733833
N-[(1S)-1-cyclohexylethyl]-2-methylcyclopentan-1-amine
CID 81387266
N-[(1S)-1-cycloheptylethyl]-2-methylcyclopentan-1-amine
CID 81391283
N-(1-cyclopentylethyl)-2-methylcyclohexan-1-amine
CID 62631533
N-[(1S)-1-cyclobutylethyl]-2-methylcyclobutan-1-amine
CID 130662747
N-[(1R)-1-cyclohexylethyl]-2-piperidin-2-ylcyclopentan-1-amine
CID 81384136
N-[(1R)-1-cyclohexylethyl]-2-methylcyclohexan-1-amine
CID 81384477

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine?
The IUPAC name of N-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine (CID 130525548) is N-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine.
What is the SMILES notation for N-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine?
The canonical SMILES for N-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine is CC(NC1CCCC2CC21)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine?
The InChIKey is NPGIVYSKDXWRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c1-9(10-4-2-5-10)14-13-7-3-6-11-8-12(11)13/h9-14H,2-8H2,1H3.
What are the key properties of N-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine?
N-(1-cyclobutylethyl)bicyclo[4.1.0]heptan-2-amine has a molecular weight of 193.33 g/mol, XLogP of 2.95, 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[4.1.0]heptan-2-amine is sourced from PubChem (CID 130525548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).