N-(1-cyclobutylethyl)aniline

C12H17N — CID 58933203

IUPACN-(1-cyclobutylethyl)aniline
SMILESCC(Nc1ccccc1)C1CCC1
InChIInChI=1S/C12H17N/c1-10(11-6-5-7-11)13-12-8-3-2-4-9-12/h2-4,8-11,13H,5-7H2,1H3
InChIKeyTUNLWDXDUXUROE-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.29
Rot. Bonds3

About N-(1-cyclobutylethyl)aniline

N-(1-cyclobutylethyl)aniline (PubChem CID 58933203) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-(1-cyclobutylethyl)aniline.

Molecular Properties

Compound NameN-(1-cyclobutylethyl)aniline
PubChem CID58933203
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-(1-cyclobutylethyl)aniline
SMILESCC(Nc1ccccc1)C1CCC1
InChIInChI=1S/C12H17N/c1-10(11-6-5-7-11)13-12-8-3-2-4-9-12/h2-4,8-11,13H,5-7H2,1H3
InChIKeyTUNLWDXDUXUROE-UHFFFAOYSA-N
XLogP3.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1-cyclopentylethyl)-2-phenylpyrimidin-5-amine
CID 62633534
N-(1-cyclohexylethyl)-3-methylaniline
CID 43755613
N-(1-cyclopropyl-2-methylpropyl)aniline
CID 115729363
N-(1-cyclohexylethyl)-2-phenylpyrimidin-5-amine
CID 43786661
3-chloro-N-(1-cyclohexylethyl)aniline
CID 43762066
N-[(1R)-1-cyclohexylethyl]-4-methoxyaniline
CID 101388874
N-(1-cyclopentylethyl)-3-pyrrolidin-1-ylaniline
CID 62632471
4-bromo-N-(1-cyclopropylethyl)aniline
CID 43194534
N-(1-cyclopentylpropan-2-yl)aniline
CID 135004448
N-[(2S,3S)-3-cyclohexylpentan-2-yl]aniline
CID 166439055
1-(1-cyclopentylethyl)-3-phenylthiourea
CID 113235708
N-(1-cyclobutylethyl)pyrimidin-2-amine
CID 115766758

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclobutylethyl)aniline?
The IUPAC name of N-(1-cyclobutylethyl)aniline (CID 58933203) is N-(1-cyclobutylethyl)aniline.
What is the SMILES notation for N-(1-cyclobutylethyl)aniline?
The canonical SMILES for N-(1-cyclobutylethyl)aniline is CC(Nc1ccccc1)C1CCC1.
What is the InChIKey of N-(1-cyclobutylethyl)aniline?
The InChIKey is TUNLWDXDUXUROE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10(11-6-5-7-11)13-12-8-3-2-4-9-12/h2-4,8-11,13H,5-7H2,1H3.
What are the key properties of N-(1-cyclobutylethyl)aniline?
N-(1-cyclobutylethyl)aniline has a molecular weight of 175.28 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclobutylethyl)aniline is sourced from PubChem (CID 58933203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).