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

C13H26N2S — CID 107132891

IUPACN-(3,3-dimethylcyclopentyl)-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCC1(C)CCC(NC(CN)C2CCSC2)C1
InChIInChI=1S/C13H26N2S/c1-13(2)5-3-11(7-13)15-12(8-14)10-4-6-16-9-10/h10-12,15H,3-9,14H2,1-2H3
InChIKeyAAWWLWISUFOFFR-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.24
Rot. Bonds4

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

N-(3,3-dimethylcyclopentyl)-1-(thiolan-3-yl)ethane-1,2-diamine (PubChem CID 107132891) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-(3,3-dimethylcyclopentyl)-1-(thiolan-3-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,3-dimethylcyclopentyl)-1-(thiolan-3-yl)ethane-1,2-diamine
PubChem CID107132891
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-(3,3-dimethylcyclopentyl)-1-(thiolan-3-yl)ethane-1,2-diamine
SMILESCC1(C)CCC(NC(CN)C2CCSC2)C1
InChIInChI=1S/C13H26N2S/c1-13(2)5-3-11(7-13)15-12(8-14)10-4-6-16-9-10/h10-12,15H,3-9,14H2,1-2H3
InChIKeyAAWWLWISUFOFFR-UHFFFAOYSA-N
XLogP2.24
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylcyclopentyl)-1-(thian-3-yl)ethane-1,2-diamine
CID 114282994
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
2-N-(3,3-dimethylcyclopentyl)-4,4-dimethylpentane-1,2-diamine
CID 114544806
N-(2-methylprop-2-enyl)-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132892
N-[(1R)-1-cyclopentylethyl]-3,3-dimethylcyclopentan-1-amine
CID 81395492
N-[2-(diethylamino)ethyl]-1-(thiolan-3-yl)ethane-1,2-diamine
CID 107132785
N-(3,3-dimethylcyclopentyl)-4,4-dimethylthian-3-amine
CID 114544200
2-(thiolan-3-yl)butan-1-amine
CID 82596112
N,4-dimethyl-1-(thiolan-3-yl)pent-4-en-1-amine
CID 105182600
2-N-(thiolan-3-yl)propane-1,2-diamine
CID 103391245
N-(1-cyclopropylpropyl)thiolan-3-amine
CID 103902644

Frequently Asked Questions

What is the IUPAC name of N-(3,3-dimethylcyclopentyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The IUPAC name of N-(3,3-dimethylcyclopentyl)-1-(thiolan-3-yl)ethane-1,2-diamine (CID 107132891) is N-(3,3-dimethylcyclopentyl)-1-(thiolan-3-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3,3-dimethylcyclopentyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3,3-dimethylcyclopentyl)-1-(thiolan-3-yl)ethane-1,2-diamine is CC1(C)CCC(NC(CN)C2CCSC2)C1.
What is the InChIKey of N-(3,3-dimethylcyclopentyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
The InChIKey is AAWWLWISUFOFFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-13(2)5-3-11(7-13)15-12(8-14)10-4-6-16-9-10/h10-12,15H,3-9,14H2,1-2H3.
What are the key properties of N-(3,3-dimethylcyclopentyl)-1-(thiolan-3-yl)ethane-1,2-diamine?
N-(3,3-dimethylcyclopentyl)-1-(thiolan-3-yl)ethane-1,2-diamine has a molecular weight of 242.43 g/mol, XLogP of 2.24, 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-(thiolan-3-yl)ethane-1,2-diamine is sourced from PubChem (CID 107132891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).