N-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine

C14H28N2S — CID 114282994

IUPACN-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine
SMILESCC1(C)CCC(NC(CN)C2CCCSC2)C1
InChIInChI=1S/C14H28N2S/c1-14(2)6-5-12(8-14)16-13(9-15)11-4-3-7-17-10-11/h11-13,16H,3-10,15H2,1-2H3
InChIKeyDBBPNPWNRXEZPQ-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.63
Rot. Bonds4

About N-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine

N-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine (PubChem CID 114282994) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine
PubChem CID114282994
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC NameN-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine
SMILESCC1(C)CCC(NC(CN)C2CCCSC2)C1
InChIInChI=1S/C14H28N2S/c1-14(2)6-5-12(8-14)16-13(9-15)11-4-3-7-17-10-11/h11-13,16H,3-10,15H2,1-2H3
InChIKeyDBBPNPWNRXEZPQ-UHFFFAOYSA-N
XLogP2.63
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)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-(3,3-dimethylcyclopentyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132891
1-cyclobutyl-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544791
N-(3,3-dimethylcyclopentyl)-1-(5-methyloxolan-2-yl)ethane-1,2-diamine
CID 114544829
N-[(1R)-1-cyclopentylethyl]-3,3-dimethylcyclopentan-1-amine
CID 81395492
2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine
CID 114544806
N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine
CID 114544200
(2S)-2-[(3,3-dimethylcyclopentyl)amino]-3-methylbutan-1-ol
CID 80705967
(2R)-2-[(3,3-dimethylcyclopentyl)amino]propanamide
CID 130676096
N-(3,3-dimethylcyclopentyl)-1-(2,5-dimethylphenyl)ethane-1,2-diamine
CID 114544940
1-(2-bromophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544846
N-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132892
1-(3,4-difluorophenyl)-N-(3,3-dimethylcyclopentyl)ethane-1,2-diamine
CID 114544888

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine (CID 114282994) is N-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine is CC1(C)CCC(NC(CN)C2CCCSC2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine?
The InChIKey is DBBPNPWNRXEZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-14(2)6-5-12(8-14)16-13(9-15)11-4-3-7-17-10-11/h11-13,16H,3-10,15H2,1-2H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine?
N-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine has a molecular weight of 256.46 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 114282994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).