3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine

C14H28N2S — CID 79958338

IUPAC3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine
SMILESCN(C1CCCC1)C1(CN)CSCC(C)(C)C1
InChIInChI=1S/C14H28N2S/c1-13(2)8-14(9-15,11-17-10-13)16(3)12-6-4-5-7-12/h12H,4-11,15H2,1-3H3
InChIKeyTVIYUPGSUHABSK-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.72
Rot. Bonds3

About 3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine

3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine (PubChem CID 79958338) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine
PubChem CID79958338
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine
SMILESCN(C1CCCC1)C1(CN)CSCC(C)(C)C1
InChIInChI=1S/C14H28N2S/c1-13(2)8-14(9-15,11-17-10-13)16(3)12-6-4-5-7-12/h12H,4-11,15H2,1-3H3
InChIKeyTVIYUPGSUHABSK-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.46
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-(1,1-dioxothiolan-3-yl)-N,5,5-trimethylthian-3-amine
CID 79958421
3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine
CID 62871304
N-[1-(aminomethyl)cyclopropyl]-N-methylcyclohexanamine
CID 106660997
3-(aminomethyl)-N,5,5-trimethyl-N-propylthian-3-amine
CID 79958584
N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N-methylthiolan-3-amine
CID 80705422
3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine
CID 79950104
N-[3-(aminomethyl)thian-3-yl]-1-ethyl-N-methylpiperidin-4-amine
CID 62872399
N-[1-(aminomethyl)-3,3-dimethylcyclopentyl]-N,1-dimethylpiperidin-3-amine
CID 80705339
1-(aminomethyl)-N-cyclohexyl-N,4-dimethylcyclohexan-1-amine
CID 43409627
3-(aminomethyl)-N-(3,5-dimethylphenyl)-N,5,5-trimethylthian-3-amine
CID 79958839
3-(aminomethyl)-N-methyl-N-(thiolan-3-yl)thian-3-amine
CID 62871660
3-(aminomethyl)-N,N-bis(2-methoxyethyl)-5,5-dimethylthian-3-amine
CID 79958506

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine?
The IUPAC name of 3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine (CID 79958338) is 3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine is CN(C1CCCC1)C1(CN)CSCC(C)(C)C1.
What is the InChIKey of 3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine?
The InChIKey is TVIYUPGSUHABSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-13(2)8-14(9-15,11-17-10-13)16(3)12-6-4-5-7-12/h12H,4-11,15H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine?
3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine has a molecular weight of 256.46 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine is sourced from PubChem (CID 79958338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).