N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine

C15H30N2S — CID 79946621

IUPACN-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine
SMILESCCN(C1CSCC(C)(C)C1)C1CCCC1CN
InChIInChI=1S/C15H30N2S/c1-4-17(14-7-5-6-12(14)9-16)13-8-15(2,3)11-18-10-13/h12-14H,4-11,16H2,1-3H3
InChIKeyASVGRYIATUAJGY-UHFFFAOYSA-N
MW270.49 g/mol
LogP2.97
Rot. Bonds4

About N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine

N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine (PubChem CID 79946621) has the molecular formula C15H30N2S and a molecular weight of 270.49 g/mol. Its IUPAC name is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine.

Molecular Properties

Compound NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine
PubChem CID79946621
Molecular FormulaC15H30N2S
Molecular Weight270.49 g/mol
Exact Mass270.21
IUPAC NameN-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine
SMILESCCN(C1CSCC(C)(C)C1)C1CCCC1CN
InChIInChI=1S/C15H30N2S/c1-4-17(14-7-5-6-12(14)9-16)13-8-15(2,3)11-18-10-13/h12-14H,4-11,16H2,1-3H3
InChIKeyASVGRYIATUAJGY-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.49
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine?
The IUPAC name of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine (CID 79946621) is N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine.
What is the SMILES notation for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine?
The canonical SMILES for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine is CCN(C1CSCC(C)(C)C1)C1CCCC1CN.
What is the InChIKey of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine?
The InChIKey is ASVGRYIATUAJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2S/c1-4-17(14-7-5-6-12(14)9-16)13-8-15(2,3)11-18-10-13/h12-14H,4-11,16H2,1-3H3.
What are the key properties of N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine?
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine has a molecular weight of 270.49 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(aminomethyl)cyclopentyl]-N-ethyl-5,5-dimethylthian-3-amine is sourced from PubChem (CID 79946621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).