2-[[cyclobutylmethyl(propyl)amino]methyl]aniline

C15H24N2 — CID 65460357

IUPAC2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
SMILESCCCN(Cc1ccccc1N)CC1CCC1
InChIInChI=1S/C15H24N2/c1-2-10-17(11-13-6-5-7-13)12-14-8-3-4-9-15(14)16/h3-4,8-9,13H,2,5-7,10-12,16H2,1H3
InChIKeyOPBKNJKIVKCQCK-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.28
Rot. Bonds6

About 2-[[cyclobutylmethyl(propyl)amino]methyl]aniline

2-[[cyclobutylmethyl(propyl)amino]methyl]aniline (PubChem CID 65460357) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 2-[[cyclobutylmethyl(propyl)amino]methyl]aniline.

Molecular Properties

Compound Name2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
PubChem CID65460357
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name2-[[cyclobutylmethyl(propyl)amino]methyl]aniline
SMILESCCCN(Cc1ccccc1N)CC1CCC1
InChIInChI=1S/C15H24N2/c1-2-10-17(11-13-6-5-7-13)12-14-8-3-4-9-15(14)16/h3-4,8-9,13H,2,5-7,10-12,16H2,1H3
InChIKeyOPBKNJKIVKCQCK-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[[cyclohexylmethyl(propyl)amino]methyl]aniline
CID 43459942
2-[[oxan-2-ylmethyl(propyl)amino]methyl]aniline
CID 43591944
4-chloro-2-[[cyclopropylmethyl(propyl)amino]methyl]aniline
CID 79582315
2-[[ethyl(oxan-4-ylmethyl)amino]methyl]aniline
CID 62385506
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
5-bromo-2-[[cyclopropylmethyl(propyl)amino]methyl]aniline
CID 79712980
2-[(2-aminophenyl)methyl-(cyclohexylmethyl)amino]acetamide
CID 43461373
N-(cyclopropylmethyl)-N-[[2-[2-(propan-2-ylamino)ethyl]phenyl]methyl]propan-1-amine
CID 115463874
2-[[octyl(propyl)amino]methyl]aniline
CID 43459961
2-[2-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]acetohydrazide
CID 115465420
2-[[2-methoxyethyl(propyl)amino]methyl]aniline
CID 43459932
2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]aniline
CID 43459900

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclobutylmethyl(propyl)amino]methyl]aniline?
The IUPAC name of 2-[[cyclobutylmethyl(propyl)amino]methyl]aniline (CID 65460357) is 2-[[cyclobutylmethyl(propyl)amino]methyl]aniline.
What is the SMILES notation for 2-[[cyclobutylmethyl(propyl)amino]methyl]aniline?
The canonical SMILES for 2-[[cyclobutylmethyl(propyl)amino]methyl]aniline is CCCN(Cc1ccccc1N)CC1CCC1.
What is the InChIKey of 2-[[cyclobutylmethyl(propyl)amino]methyl]aniline?
The InChIKey is OPBKNJKIVKCQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-2-10-17(11-13-6-5-7-13)12-14-8-3-4-9-15(14)16/h3-4,8-9,13H,2,5-7,10-12,16H2,1H3.
What are the key properties of 2-[[cyclobutylmethyl(propyl)amino]methyl]aniline?
2-[[cyclobutylmethyl(propyl)amino]methyl]aniline has a molecular weight of 232.37 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclobutylmethyl(propyl)amino]methyl]aniline is sourced from PubChem (CID 65460357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).