N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine

C14H24N2S — CID 79494562

IUPACN-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCN(CCNC1CCCC1)CCc1cccs1
InChIInChI=1S/C14H24N2S/c1-16(10-8-14-7-4-12-17-14)11-9-15-13-5-2-3-6-13/h4,7,12-13,15H,2-3,5-6,8-11H2,1H3
InChIKeyDJZINSYSEBKDCV-UHFFFAOYSA-N
MW252.43 g/mol
LogP2.75
Rot. Bonds7

About N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine

N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine (PubChem CID 79494562) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
PubChem CID79494562
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC NameN-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
SMILESCN(CCNC1CCCC1)CCc1cccs1
InChIInChI=1S/C14H24N2S/c1-16(10-8-14-7-4-12-17-14)11-9-15-13-5-2-3-6-13/h4,7,12-13,15H,2-3,5-6,8-11H2,1H3
InChIKeyDJZINSYSEBKDCV-UHFFFAOYSA-N
XLogP2.75
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-methyl-N-(2-methylcyclohexyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494171
N-cyclopropyl-N'-methyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 60843550
4-N-methyl-1-N-propyl-4-N-(2-thiophen-2-ylethyl)cyclohexane-1,4-diamine
CID 114763470
N-[[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 79490840
N-ethyl-2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]cycloheptan-1-amine
CID 79486152
N-(thiophen-2-ylmethyl)cycloheptanamine
CID 4719997
N'-methyl-N-(4-methylphenyl)-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine
CID 79494017
N-[[5-methyl-4-[[methyl(2-thiophen-2-ylethyl)amino]methyl]thiophen-2-yl]methyl]cyclopropanamine
CID 80719555
N'-cyclopentyl-N-(thiophen-2-ylmethyl)propane-1,3-diamine
CID 142036010
1-N-cyclopropyl-3-N-methyl-3-N-(thiophen-2-ylmethyl)butane-1,3-diamine
CID 62420794
1-N-cyclopropyl-3-N,2-dimethyl-3-N-(2-thiophen-2-ylethyl)butane-1,3-diamine
CID 79494865
4-chloro-N-(2-thiophen-2-ylethyl)cyclohexan-1-amine
CID 65023554

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The IUPAC name of N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine (CID 79494562) is N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine is CN(CCNC1CCCC1)CCc1cccs1.
What is the InChIKey of N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
The InChIKey is DJZINSYSEBKDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-16(10-8-14-7-4-12-17-14)11-9-15-13-5-2-3-6-13/h4,7,12-13,15H,2-3,5-6,8-11H2,1H3.
What are the key properties of N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine?
N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine has a molecular weight of 252.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N'-methyl-N'-(2-thiophen-2-ylethyl)ethane-1,2-diamine is sourced from PubChem (CID 79494562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).