3-(aminomethyl)-N,N-dibutylthian-3-amine

C14H30N2S — CID 55129741

IUPAC3-(aminomethyl)-N,N-dibutylthian-3-amine
SMILESCCCCN(CCCC)C1(CN)CCCSC1
InChIInChI=1S/C14H30N2S/c1-3-5-9-16(10-6-4-2)14(12-15)8-7-11-17-13-14/h3-13,15H2,1-2H3
InChIKeyZMVXOVOVVUKEGY-UHFFFAOYSA-N
MW258.47 g/mol
LogP3.11
Rot. Bonds8

About 3-(aminomethyl)-N,N-dibutylthian-3-amine

3-(aminomethyl)-N,N-dibutylthian-3-amine (PubChem CID 55129741) has the molecular formula C14H30N2S and a molecular weight of 258.47 g/mol. Its IUPAC name is 3-(aminomethyl)-N,N-dibutylthian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N,N-dibutylthian-3-amine
PubChem CID55129741
Molecular FormulaC14H30N2S
Molecular Weight258.47 g/mol
Exact Mass258.21
IUPAC Name3-(aminomethyl)-N,N-dibutylthian-3-amine
SMILESCCCCN(CCCC)C1(CN)CCCSC1
InChIInChI=1S/C14H30N2S/c1-3-5-9-16(10-6-4-2)14(12-15)8-7-11-17-13-14/h3-13,15H2,1-2H3
InChIKeyZMVXOVOVVUKEGY-UHFFFAOYSA-N
XLogP3.11
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.47
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N,N-dibutylthian-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-2-methyl-3-athyl-thiomorpholin
CID 110192120
[5-Methyl-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]thiolan-3-yl]methanamine
CID 79949744
6,6,6-Trifluoro-2-methyl-2-(2-methylthiomorpholin-4-yl)hexan-1-amine
CID 113533897
4-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thian-4-amine
CID 114996950
3-(aminomethyl)-N-methyl-N-(2,2,2-trifluoroethyl)thian-3-amine
CID 114996952
6,6,6-Trifluoro-2-methyl-2-thiomorpholin-4-ylhexan-1-amine
CID 116535129
6,6,6-Trifluoro-2-methyl-2-(3-methylthiomorpholin-4-yl)hexan-1-amine
CID 116535318
2-(2,6-Dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535320
2-(2,3-Dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535427
2-(2-Ethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535428
2-(2,2-Dimethylthiomorpholin-4-yl)-6,6,6-trifluoro-2-methylhexan-1-amine
CID 116535429
4-(2-aminoethyl)-N,N-dimethyltetrahydro-2H-thiopyran-4-amine
CID 10845314

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N,N-dibutylthian-3-amine?
The IUPAC name of 3-(aminomethyl)-N,N-dibutylthian-3-amine (CID 55129741) is 3-(aminomethyl)-N,N-dibutylthian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N,N-dibutylthian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N,N-dibutylthian-3-amine is CCCCN(CCCC)C1(CN)CCCSC1.
What is the InChIKey of 3-(aminomethyl)-N,N-dibutylthian-3-amine?
The InChIKey is ZMVXOVOVVUKEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2S/c1-3-5-9-16(10-6-4-2)14(12-15)8-7-11-17-13-14/h3-13,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N,N-dibutylthian-3-amine?
3-(aminomethyl)-N,N-dibutylthian-3-amine has a molecular weight of 258.47 g/mol, XLogP of 3.11, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N,N-dibutylthian-3-amine is sourced from PubChem (CID 55129741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).