N-(cyclobutylmethyl)-3-methylaniline

C12H17N — CID 65459852

IUPACN-(cyclobutylmethyl)-3-methylaniline
SMILESCc1cccc(NCC2CCC2)c1
InChIInChI=1S/C12H17N/c1-10-4-2-7-12(8-10)13-9-11-5-3-6-11/h2,4,7-8,11,13H,3,5-6,9H2,1H3
InChIKeyUVOJALGVLXSJDD-UHFFFAOYSA-N
MW175.28 g/mol
LogP3.21
Rot. Bonds3

About N-(cyclobutylmethyl)-3-methylaniline

N-(cyclobutylmethyl)-3-methylaniline (PubChem CID 65459852) has the molecular formula C12H17N and a molecular weight of 175.28 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-3-methylaniline.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-3-methylaniline
PubChem CID65459852
Molecular FormulaC12H17N
Molecular Weight175.28 g/mol
Exact Mass175.14
IUPAC NameN-(cyclobutylmethyl)-3-methylaniline
SMILESCc1cccc(NCC2CCC2)c1
InChIInChI=1S/C12H17N/c1-10-4-2-7-12(8-10)13-9-11-5-3-6-11/h2,4,7-8,11,13H,3,5-6,9H2,1H3
InChIKeyUVOJALGVLXSJDD-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(cyclooctylmethyl)-3-methylaniline
CID 114207672
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CID 43560243
N-(azetidin-3-ylmethyl)-3-methylaniline
CID 84655686
N-(2-cyclohexylethyl)-3-methylaniline
CID 20699944
3-methyl-N-(oxan-2-ylmethyl)aniline
CID 43403452
1-N-(cycloheptylmethyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 115376208
3-tert-butyl-N-(cyclopropylmethyl)aniline
CID 139034986
N-(cyclohexylmethyl)-3,4-dimethylaniline
CID 18778522
ethyl 3-(cyclopentylmethylamino)benzoate
CID 62070865
N-(cyclohexylmethyl)-3-[(dimethylamino)methyl]aniline
CID 43435745
3-butoxy-N-(cyclohexylmethyl)aniline
CID 54800630
1-(cyclopentylmethylamino)-3-(sulfamoylamino)benzene
CID 62069827

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-3-methylaniline?
The IUPAC name of N-(cyclobutylmethyl)-3-methylaniline (CID 65459852) is N-(cyclobutylmethyl)-3-methylaniline.
What is the SMILES notation for N-(cyclobutylmethyl)-3-methylaniline?
The canonical SMILES for N-(cyclobutylmethyl)-3-methylaniline is Cc1cccc(NCC2CCC2)c1.
What is the InChIKey of N-(cyclobutylmethyl)-3-methylaniline?
The InChIKey is UVOJALGVLXSJDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N/c1-10-4-2-7-12(8-10)13-9-11-5-3-6-11/h2,4,7-8,11,13H,3,5-6,9H2,1H3.
What are the key properties of N-(cyclobutylmethyl)-3-methylaniline?
N-(cyclobutylmethyl)-3-methylaniline has a molecular weight of 175.28 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-3-methylaniline is sourced from PubChem (CID 65459852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).