3-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine

C14H28N2S — CID 13285229

IUPAC3-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine
SMILESCC1(C)CC2(CCCN(CCCN)C2)CCS1
InChIInChI=1S/C14H28N2S/c1-13(2)11-14(6-10-17-13)5-3-8-16(12-14)9-4-7-15/h3-12,15H2,1-2H3
InChIKeyWWNVJBVYEQKNAQ-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.72
Rot. Bonds3

About 3-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine

3-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine (PubChem CID 13285229) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 3-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine
PubChem CID13285229
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name3-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine
SMILESCC1(C)CC2(CCCN(CCCN)C2)CCS1
InChIInChI=1S/C14H28N2S/c1-13(2)11-14(6-10-17-13)5-3-8-16(12-14)9-4-7-15/h3-12,15H2,1-2H3
InChIKeyWWNVJBVYEQKNAQ-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

Analyze 3-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine 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

5-butyl-5-azaspiro[2.5]octane
CID 130224729
6-(3,3-dimethylpiperidin-1-yl)hexanamide
CID 176680347
1-(2-fluoroethyl)-3,3-dimethylpiperidine
CID 131154120
3-(3-fluoro-3-methylpyrrolidin-1-yl)propan-1-amine;hydrochloride
CID 115020907
7-(3,3-dimethylpiperidin-1-yl)heptanamide;ethane
CID 176680296
ethane;3-piperidin-1-ylpropan-1-amine
CID 142260047
6-(2-fluoroethyl)-6-azaspiro[3.5]nonane
CID 131131774
2-(3-fluoro-3-methylpiperidin-1-yl)ethanamine
CID 115012585
3-(4,4-difluoroazepan-1-yl)propan-1-amine
CID 115019061
ethane;molecular hydrogen;3-pyrrolidin-1-ylpropan-1-amine
CID 145312268
2-[2-(4,4-dimethylazepan-1-yl)ethoxy]ethanamine
CID 79478625
2-(3-aminopropyl)-8,8-dipropyl-2-azaspiro[4.5]decane-7,9-dione
CID 139818616

Frequently Asked Questions

What is the IUPAC name of 3-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine?
The IUPAC name of 3-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine (CID 13285229) is 3-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine.
What is the SMILES notation for 3-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine?
The canonical SMILES for 3-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine is CC1(C)CC2(CCCN(CCCN)C2)CCS1.
What is the InChIKey of 3-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine?
The InChIKey is WWNVJBVYEQKNAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-13(2)11-14(6-10-17-13)5-3-8-16(12-14)9-4-7-15/h3-12,15H2,1-2H3.
What are the key properties of 3-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine?
3-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-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-(10,10-dimethyl-9-thia-2-azaspiro[5.5]undecan-2-yl)propan-1-amine is sourced from PubChem (CID 13285229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).