4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline

C15H24N2 — CID 114543506

IUPAC4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline
SMILESCc1cc(NC2CCC(C)(C)C2)ccc1CN
InChIInChI=1S/C15H24N2/c1-11-8-13(5-4-12(11)10-16)17-14-6-7-15(2,3)9-14/h4-5,8,14,17H,6-7,9-10,16H2,1-3H3
InChIKeyXTYKBDUZCQMFKU-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.44
Rot. Bonds3

About 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline

4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline (PubChem CID 114543506) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline
PubChem CID114543506
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline
SMILESCc1cc(NC2CCC(C)(C)C2)ccc1CN
InChIInChI=1S/C15H24N2/c1-11-8-13(5-4-12(11)10-16)17-14-6-7-15(2,3)9-14/h4-5,8,14,17H,6-7,9-10,16H2,1-3H3
InChIKeyXTYKBDUZCQMFKU-UHFFFAOYSA-N
XLogP3.44
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,3-dimethylcyclopentyl)-4-fluoro-3-methylaniline
CID 80705669
2-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-5-methylaniline
CID 114543498
3-bromo-N-(3,3-dimethylcyclopentyl)-4-methylaniline
CID 80706050
3-chloro-N-(3,3-dimethylcyclopentyl)-4-methylaniline
CID 80692538
N-(3,3-dimethylcyclopentyl)-2,2-dimethyl-1,3-benzodioxol-5-amine
CID 80693397
4-(aminomethyl)-N-(3,3-dimethylcyclohexyl)-3-methylbenzenesulfonamide
CID 106919518
4-N-(3,3-dimethylcyclopentyl)-2-propoxybenzene-1,4-diamine
CID 114543414
4-N-(3,3-dimethylcyclohexyl)benzene-1,2,4-triamine
CID 106751041
3-(aminomethyl)-N-(3,3-dimethylcyclopentyl)quinolin-2-amine
CID 114543493
N-(3,3-dimethylcyclopentyl)-2-methyl-3H-benzimidazol-5-amine
CID 80706215
2-chloro-4-[(3,3-dimethylcyclopentyl)amino]benzenecarbothioamide
CID 114546706
3-[(3,3-dimethylcyclopentyl)amino]benzamide
CID 80693382

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline?
The IUPAC name of 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline (CID 114543506) is 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline.
What is the SMILES notation for 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline?
The canonical SMILES for 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline is Cc1cc(NC2CCC(C)(C)C2)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline?
The InChIKey is XTYKBDUZCQMFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-11-8-13(5-4-12(11)10-16)17-14-6-7-15(2,3)9-14/h4-5,8,14,17H,6-7,9-10,16H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline?
4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline has a molecular weight of 232.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(3,3-dimethylcyclopentyl)-3-methylaniline is sourced from PubChem (CID 114543506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).