3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine

C11H24N2S — CID 43571900

IUPAC3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine
SMILESCCCC(C)N(C)C1(CN)CCSC1
InChIInChI=1S/C11H24N2S/c1-4-5-10(2)13(3)11(8-12)6-7-14-9-11/h10H,4-9,12H2,1-3H3
InChIKeyNAUMHOXXPKQYDE-UHFFFAOYSA-N
MW216.39 g/mol
LogP1.94
Rot. Bonds5

About 3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine

3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine (PubChem CID 43571900) has the molecular formula C11H24N2S and a molecular weight of 216.39 g/mol. Its IUPAC name is 3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine
PubChem CID43571900
Molecular FormulaC11H24N2S
Molecular Weight216.39 g/mol
Exact Mass216.17
IUPAC Name3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine
SMILESCCCC(C)N(C)C1(CN)CCSC1
InChIInChI=1S/C11H24N2S/c1-4-5-10(2)13(3)11(8-12)6-7-14-9-11/h10H,4-9,12H2,1-3H3
InChIKeyNAUMHOXXPKQYDE-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-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

3-(aminomethyl)-N,4,4-trimethyl-N-pentan-2-ylthian-3-amine
CID 79948724
3-(aminomethyl)-N-methyl-N-(2-methylbutyl)thiolan-3-amine
CID 43295596
1-(aminomethyl)-N,3-dimethyl-N-pentan-2-ylcyclopentan-1-amine
CID 64501372
3-(aminomethyl)-N-methyl-N-(2-methylbutan-2-yl)thiolan-3-amine
CID 63983320
1-(aminomethyl)-4-methoxy-N-methyl-N-pentan-2-ylcyclohexan-1-amine
CID 113414453
3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine
CID 62871309
1-(aminomethyl)-N,3,3,5-tetramethyl-N-pentan-2-ylcyclohexan-1-amine
CID 43571901
3-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylthian-3-amine
CID 65484696
3-(aminomethyl)-N,N-bis(3-methylbutyl)thian-3-amine
CID 107869460
3-(aminomethyl)-N,N-bis(2-ethoxyethyl)thiolan-3-amine
CID 82965361
1-(aminomethyl)-N,2,2-trimethyl-N-pentan-2-ylcyclohexan-1-amine
CID 79836995
3-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]thiolan-3-amine
CID 55175382

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine (CID 43571900) is 3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine is CCCC(C)N(C)C1(CN)CCSC1.
What is the InChIKey of 3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine?
The InChIKey is NAUMHOXXPKQYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2S/c1-4-5-10(2)13(3)11(8-12)6-7-14-9-11/h10H,4-9,12H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine?
3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine has a molecular weight of 216.39 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine is sourced from PubChem (CID 43571900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).