N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline

C15H24N2 — CID 61076731

IUPACN-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline
SMILESCCN(c1cccc(C)c1)C1CCCC1CN
InChIInChI=1S/C15H24N2/c1-3-17(14-8-4-6-12(2)10-14)15-9-5-7-13(15)11-16/h4,6,8,10,13,15H,3,5,7,9,11,16H2,1-2H3
InChIKeySJXHWEZYRWTWHK-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.95
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline

N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline (PubChem CID 61076731) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline
PubChem CID61076731
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline
SMILESCCN(c1cccc(C)c1)C1CCCC1CN
InChIInChI=1S/C15H24N2/c1-3-17(14-8-4-6-12(2)10-14)15-9-5-7-13(15)11-16/h4,6,8,10,13,15H,3,5,7,9,11,16H2,1-2H3
InChIKeySJXHWEZYRWTWHK-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(aminomethyl)-5-propylcyclohexyl]-N-ethyl-3-methylaniline
CID 63404368
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methyl-5-nitroaniline
CID 115981523
N-cyclohexyl-N-ethyl-3-methylaniline
CID 21396772
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-iodo-4-nitroaniline
CID 106493485
2-(aminomethyl)-N-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 61414255
N-[1-(aminomethyl)-4-ethylcyclohexyl]-N-ethyl-3-methylaniline
CID 63470782
N-[1-(aminomethyl)cyclopropyl]-N-ethyl-3-methylaniline
CID 106661084
3-N-ethyl-3-N-(3-methylphenyl)cyclopentane-1,3-diamine
CID 79467781
2-[[2-(aminomethyl)cyclopentyl]-ethylamino]-6-fluorobenzamide
CID 79522956
N-[2-(aminomethyl)cyclohexyl]-N-ethyl-2-methyl-6-nitroaniline
CID 115553906
N-[2-(aminomethyl)cyclopentyl]-5-bromo-N-ethyl-3-methylpyridin-2-amine
CID 79717512
4-(N-ethyl-3-methylanilino)-1,1-dioxothiolan-3-ol
CID 61104727

Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline (CID 61076731) is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline is CCN(c1cccc(C)c1)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline?
The InChIKey is SJXHWEZYRWTWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-17(14-8-4-6-12(2)10-14)15-9-5-7-13(15)11-16/h4,6,8,10,13,15H,3,5,7,9,11,16H2,1-2H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline?
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline has a molecular weight of 232.37 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-3-methylaniline is sourced from PubChem (CID 61076731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).