3-[(cyclobutylmethylamino)methyl]-N-methylaniline

C13H20N2 — CID 115212230

IUPAC3-[(cyclobutylmethylamino)methyl]-N-methylaniline
SMILESCNc1cccc(CNCC2CCC2)c1
InChIInChI=1S/C13H20N2/c1-14-13-7-3-6-12(8-13)10-15-9-11-4-2-5-11/h3,6-8,11,14-15H,2,4-5,9-10H2,1H3
InChIKeyXVDKYCKKCSYWEN-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.62
Rot. Bonds5

About 3-[(cyclobutylmethylamino)methyl]-N-methylaniline

3-[(cyclobutylmethylamino)methyl]-N-methylaniline (PubChem CID 115212230) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 3-[(cyclobutylmethylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name3-[(cyclobutylmethylamino)methyl]-N-methylaniline
PubChem CID115212230
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name3-[(cyclobutylmethylamino)methyl]-N-methylaniline
SMILESCNc1cccc(CNCC2CCC2)c1
InChIInChI=1S/C13H20N2/c1-14-13-7-3-6-12(8-13)10-15-9-11-4-2-5-11/h3,6-8,11,14-15H,2,4-5,9-10H2,1H3
InChIKeyXVDKYCKKCSYWEN-UHFFFAOYSA-N
XLogP2.62
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2-cyclohexylethylamino)methyl]-N-methylaniline
CID 115212292
4-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212787
1-cyclobutyl-N-[(3-methoxyphenyl)methyl]methanamine
CID 43298537
N-[(3-bromophenyl)methyl]-1-cyclobutylmethanamine
CID 43298546
1-cyclobutyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79979705
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
1-cyclopentyl-N-[(3-cyclopropylphenyl)methyl]methanamine
CID 79978912
N-[(3-bromophenyl)methyl]-1-cyclohexylmethanamine
CID 43215546
3-[(2,2-dimethylpropylamino)methyl]-N-methylaniline
CID 115212181
4-[(cyclobutylmethylamino)methyl]benzene-1,2-diol
CID 43298488
1-cyclopentyl-N-[(3,4-dimethoxyphenyl)methyl]methanamine
CID 43317290
1-cyclohexyl-N-[[3-(difluoromethyl)phenyl]methyl]methanamine
CID 113328694

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclobutylmethylamino)methyl]-N-methylaniline?
The IUPAC name of 3-[(cyclobutylmethylamino)methyl]-N-methylaniline (CID 115212230) is 3-[(cyclobutylmethylamino)methyl]-N-methylaniline.
What is the SMILES notation for 3-[(cyclobutylmethylamino)methyl]-N-methylaniline?
The canonical SMILES for 3-[(cyclobutylmethylamino)methyl]-N-methylaniline is CNc1cccc(CNCC2CCC2)c1.
What is the InChIKey of 3-[(cyclobutylmethylamino)methyl]-N-methylaniline?
The InChIKey is XVDKYCKKCSYWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-14-13-7-3-6-12(8-13)10-15-9-11-4-2-5-11/h3,6-8,11,14-15H,2,4-5,9-10H2,1H3.
What are the key properties of 3-[(cyclobutylmethylamino)methyl]-N-methylaniline?
3-[(cyclobutylmethylamino)methyl]-N-methylaniline has a molecular weight of 204.32 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclobutylmethylamino)methyl]-N-methylaniline is sourced from PubChem (CID 115212230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).