N-(cyclobutylmethyl)-2,3-dimethylaniline

C13H19N — CID 65458031

IUPACN-(cyclobutylmethyl)-2,3-dimethylaniline
SMILESCc1cccc(NCC2CCC2)c1C
InChIInChI=1S/C13H19N/c1-10-5-3-8-13(11(10)2)14-9-12-6-4-7-12/h3,5,8,12,14H,4,6-7,9H2,1-2H3
InChIKeyBUSWSUXSXFXHEA-UHFFFAOYSA-N
MW189.30 g/mol
LogP3.52
Rot. Bonds3

About N-(cyclobutylmethyl)-2,3-dimethylaniline

N-(cyclobutylmethyl)-2,3-dimethylaniline (PubChem CID 65458031) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2,3-dimethylaniline.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2,3-dimethylaniline
PubChem CID65458031
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC NameN-(cyclobutylmethyl)-2,3-dimethylaniline
SMILESCc1cccc(NCC2CCC2)c1C
InChIInChI=1S/C13H19N/c1-10-5-3-8-13(11(10)2)14-9-12-6-4-7-12/h3,5,8,12,14H,4,6-7,9H2,1-2H3
InChIKeyBUSWSUXSXFXHEA-UHFFFAOYSA-N
XLogP3.52
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655606
N-(cyclopropylmethyl)-2-fluoro-3-methylaniline
CID 130165755
N-(cyclohexylmethyl)-2-methyl-3-(methylsulfonylmethyl)aniline
CID 71862434
2-bromo-N-(cyclobutylmethyl)aniline
CID 65457106
3-bromo-2-methyl-N-[(4-methylcyclohexyl)methyl]aniline
CID 107629684
3-chloro-1-N-(cyclobutylmethyl)benzene-1,2-diamine
CID 104834099
3-bromo-2-methyl-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 107629665
N-(cyclobutylmethyl)-3-methylaniline
CID 65459852
N-(cyclobutylmethyl)-1,3-benzodioxol-4-amine
CID 164539583
N'-(2,3-dimethylphenyl)-N-[(3-hydroxycyclohexyl)methyl]oxamide
CID 111490668
1-N-(cyclobutylmethyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 113393307
2-chloro-N-(cyclopentylmethyl)aniline
CID 61344994

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2,3-dimethylaniline?
The IUPAC name of N-(cyclobutylmethyl)-2,3-dimethylaniline (CID 65458031) is N-(cyclobutylmethyl)-2,3-dimethylaniline.
What is the SMILES notation for N-(cyclobutylmethyl)-2,3-dimethylaniline?
The canonical SMILES for N-(cyclobutylmethyl)-2,3-dimethylaniline is Cc1cccc(NCC2CCC2)c1C.
What is the InChIKey of N-(cyclobutylmethyl)-2,3-dimethylaniline?
The InChIKey is BUSWSUXSXFXHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-10-5-3-8-13(11(10)2)14-9-12-6-4-7-12/h3,5,8,12,14H,4,6-7,9H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-2,3-dimethylaniline?
N-(cyclobutylmethyl)-2,3-dimethylaniline has a molecular weight of 189.30 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2,3-dimethylaniline is sourced from PubChem (CID 65458031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).