N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine

C13H26N2S — CID 80705422

IUPACN-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine
SMILESCN(C1CCSC1)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C13H26N2S/c1-12(2)5-6-13(9-12,10-14)15(3)11-4-7-16-8-11/h11H,4-10,14H2,1-3H3
InChIKeyPWKSDHHDQGTWEN-UHFFFAOYSA-N
MW242.43 g/mol
LogP2.33
Rot. Bonds3

About N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine

N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine (PubChem CID 80705422) has the molecular formula C13H26N2S and a molecular weight of 242.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine
PubChem CID80705422
Molecular FormulaC13H26N2S
Molecular Weight242.43 g/mol
Exact Mass242.18
IUPAC NameN-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine
SMILESCN(C1CCSC1)C1(CN)CCC(C)(C)C1
InChIInChI=1S/C13H26N2S/c1-12(2)5-6-13(9-12,10-14)15(3)11-4-7-16-8-11/h11H,4-10,14H2,1-3H3
InChIKeyPWKSDHHDQGTWEN-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine
CID 62871660
N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine
CID 80705339
3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine
CID 79958338
1-(aminomethyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 115452254
1-(aminomethyl)-N,3,3-trimethyl-N-propan-2-ylcyclopentan-1-amine
CID 80705971
3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,5,5-trimethylthian-3-amine
CID 79958421
N-[1-(aminomethyl)cyclopropyl]-N-methylcyclohexanamine
CID 106660997
N'-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,N,N'-trimethylethane-1,2-diamine
CID 80705611
N-[2-[1-(aminomethyl)cyclobutyl]ethyl]-N-methylthiolan-3-amine
CID 81168855
3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine
CID 62871304
1-amino-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 65466990
4-(aminomethyl)-N-methyl-N-(thiolan-3-yl)oxane-4-carboxamide;hydrochloride
CID 120942952

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine?
The IUPAC name of N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine (CID 80705422) is N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine.
What is the SMILES notation for N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine?
The canonical SMILES for N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine is CN(C1CCSC1)C1(CN)CCC(C)(C)C1.
What is the InChIKey of N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine?
The InChIKey is PWKSDHHDQGTWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2S/c1-12(2)5-6-13(9-12,10-14)15(3)11-4-7-16-8-11/h11H,4-10,14H2,1-3H3.
What are the key properties of N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine?
N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine has a molecular weight of 242.43 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine is sourced from PubChem (CID 80705422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).