3-(1-cyclobutylethyl)aniline

C12H17N — CID 115014570

IUPAC3-(1-cyclobutylethyl)aniline
SMILESCC(c1cccc(N)c1)C1CCC1
InChIInChI=1S/C12H17N/c1-9(10-4-2-5-10)11-6-3-7-12(13)8-11/h3,6-10H,2,4-5,13H2,1H3
InChIKeyMDKOVGNUQKORDW-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.17
Rot. Bonds2

About 3-(1-cyclobutylethyl)aniline

3-(1-cyclobutylethyl)aniline (PubChem CID 115014570) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is 3-(1-cyclobutylethyl)aniline.

Molecular Properties

Compound Name3-(1-cyclobutylethyl)aniline
PubChem CID115014570
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC Name3-(1-cyclobutylethyl)aniline
SMILESCC(c1cccc(N)c1)C1CCC1
InChIInChI=1S/C12H17N/c1-9(10-4-2-5-10)11-6-3-7-12(13)8-11/h3,6-10H,2,4-5,13H2,1H3
InChIKeyMDKOVGNUQKORDW-UHFFFAOYSA-N
XLogP3.17
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.28
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(3-aminophenyl)-cyclobutylmethanol
CID 105437114
1,3-bis(1-cyclopropylethyl)benzene
CID 91412493
2-(3-aminophenyl)-2-cyclobutylacetic acid
CID 166080335
1-cyclobutylethylbenzene
CID 22024745
3-(1-cyclobutyl-2-fluoroethyl)aniline
CID 115019523
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
1-(1-cyclobutylethyl)-3-nitrobenzene
CID 170732279
3-(1-cyclopropyl-2,2-difluoroethyl)aniline
CID 115020982
[3-(1-cyclopropylethyl)phenyl]methanamine
CID 115014572
2-(3-aminophenyl)-N-cyclopropylpropanamide
CID 106590663
(3-aminophenyl)-(oxan-3-yl)methanol
CID 107136268
3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline
CID 63632090

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclobutylethyl)aniline?
The IUPAC name of 3-(1-cyclobutylethyl)aniline (CID 115014570) is 3-(1-cyclobutylethyl)aniline.
What is the SMILES notation for 3-(1-cyclobutylethyl)aniline?
The canonical SMILES for 3-(1-cyclobutylethyl)aniline is CC(c1cccc(N)c1)C1CCC1.
What is the InChIKey of 3-(1-cyclobutylethyl)aniline?
The InChIKey is MDKOVGNUQKORDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-9(10-4-2-5-10)11-6-3-7-12(13)8-11/h3,6-10H,2,4-5,13H2,1H3.
What are the key properties of 3-(1-cyclobutylethyl)aniline?
3-(1-cyclobutylethyl)aniline has a molecular weight of 175.28 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclobutylethyl)aniline is sourced from PubChem (CID 115014570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).