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

C13H20N2 — CID 115212787

IUPAC4-[(cyclobutylmethylamino)methyl]-N-methylaniline
SMILESCNc1ccc(CNCC2CCC2)cc1
InChIInChI=1S/C13H20N2/c1-14-13-7-5-12(6-8-13)10-15-9-11-3-2-4-11/h5-8,11,14-15H,2-4,9-10H2,1H3
InChIKeyCFNYJWFUCPEBID-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.62
Rot. Bonds5

About 4-[(cyclobutylmethylamino)methyl]-N-methylaniline

4-[(cyclobutylmethylamino)methyl]-N-methylaniline (PubChem CID 115212787) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-[(cyclobutylmethylamino)methyl]-N-methylaniline.

Molecular Properties

Compound Name4-[(cyclobutylmethylamino)methyl]-N-methylaniline
PubChem CID115212787
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-[(cyclobutylmethylamino)methyl]-N-methylaniline
SMILESCNc1ccc(CNCC2CCC2)cc1
InChIInChI=1S/C13H20N2/c1-14-13-7-5-12(6-8-13)10-15-9-11-3-2-4-11/h5-8,11,14-15H,2-4,9-10H2,1H3
InChIKeyCFNYJWFUCPEBID-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

1-cyclobutyl-N-[(4-methylphenyl)methyl]methanamine
CID 43298526
3-[(cyclobutylmethylamino)methyl]-N-methylaniline
CID 115212230
N-benzyl-1-cyclobutylmethanamine;methanol
CID 170726729
N-methyl-4-[[[(2S)-oxolan-2-yl]methylamino]methyl]aniline
CID 143173982
N-[(4-tert-butylphenyl)methyl]-1-cyclopentylmethanamine
CID 43317309
N-[(4-bromophenyl)methyl]-1-cyclopentylmethanamine
CID 43317301
1-cyclopentyl-N-[(4-cyclopropylphenyl)methyl]methanamine
CID 79978986
4-[(cyclohexylmethylamino)methyl]aniline
CID 68506062
[3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine
CID 145151914
4-[(cyclobutylmethylamino)methyl]benzene-1,2-diol
CID 43298488
1-cyclobutyl-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43298477
N-[[4-[(cyclopentylmethylamino)methyl]phenyl]methyl]-N-ethylethanamine
CID 62070861

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclobutylmethylamino)methyl]-N-methylaniline?
The IUPAC name of 4-[(cyclobutylmethylamino)methyl]-N-methylaniline (CID 115212787) is 4-[(cyclobutylmethylamino)methyl]-N-methylaniline.
What is the SMILES notation for 4-[(cyclobutylmethylamino)methyl]-N-methylaniline?
The canonical SMILES for 4-[(cyclobutylmethylamino)methyl]-N-methylaniline is CNc1ccc(CNCC2CCC2)cc1.
What is the InChIKey of 4-[(cyclobutylmethylamino)methyl]-N-methylaniline?
The InChIKey is CFNYJWFUCPEBID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-14-13-7-5-12(6-8-13)10-15-9-11-3-2-4-11/h5-8,11,14-15H,2-4,9-10H2,1H3.
What are the key properties of 4-[(cyclobutylmethylamino)methyl]-N-methylaniline?
4-[(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 4-[(cyclobutylmethylamino)methyl]-N-methylaniline is sourced from PubChem (CID 115212787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).