N-(cyclobutylmethyl)aniline

C11H15N — CID 45076032

IUPACN-(cyclobutylmethyl)aniline
SMILESc1ccc(NCC2CCC2)cc1
InChIInChI=1S/C11H15N/c1-2-7-11(8-3-1)12-9-10-5-4-6-10/h1-3,7-8,10,12H,4-6,9H2
InChIKeyNKLFLMIOOKWFHK-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.90
Rot. Bonds3

About N-(cyclobutylmethyl)aniline

N-(cyclobutylmethyl)aniline (PubChem CID 45076032) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is N-(cyclobutylmethyl)aniline.

Molecular Properties

Compound NameN-(cyclobutylmethyl)aniline
PubChem CID45076032
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC NameN-(cyclobutylmethyl)aniline
SMILESc1ccc(NCC2CCC2)cc1
InChIInChI=1S/C11H15N/c1-2-7-11(8-3-1)12-9-10-5-4-6-10/h1-3,7-8,10,12H,4-6,9H2
InChIKeyNKLFLMIOOKWFHK-UHFFFAOYSA-N
XLogP2.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)aniline?
The IUPAC name of N-(cyclobutylmethyl)aniline (CID 45076032) is N-(cyclobutylmethyl)aniline.
What is the SMILES notation for N-(cyclobutylmethyl)aniline?
The canonical SMILES for N-(cyclobutylmethyl)aniline is c1ccc(NCC2CCC2)cc1.
What is the InChIKey of N-(cyclobutylmethyl)aniline?
The InChIKey is NKLFLMIOOKWFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-2-7-11(8-3-1)12-9-10-5-4-6-10/h1-3,7-8,10,12H,4-6,9H2.
What are the key properties of N-(cyclobutylmethyl)aniline?
N-(cyclobutylmethyl)aniline has a molecular weight of 161.25 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)aniline is sourced from PubChem (CID 45076032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).