3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine

C12H26N2S — CID 62871309

IUPAC3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine
SMILESCCCN(C(C)C)C1(CN)CCCSC1
InChIInChI=1S/C12H26N2S/c1-4-7-14(11(2)3)12(9-13)6-5-8-15-10-12/h11H,4-10,13H2,1-3H3
InChIKeyZYJRNBVKPMQYRD-UHFFFAOYSA-N
MW230.42 g/mol
LogP2.33
Rot. Bonds5

About 3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine

3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine (PubChem CID 62871309) has the molecular formula C12H26N2S and a molecular weight of 230.42 g/mol. Its IUPAC name is 3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine
PubChem CID62871309
Molecular FormulaC12H26N2S
Molecular Weight230.42 g/mol
Exact Mass230.18
IUPAC Name3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine
SMILESCCCN(C(C)C)C1(CN)CCCSC1
InChIInChI=1S/C12H26N2S/c1-4-7-14(11(2)3)12(9-13)6-5-8-15-10-12/h11H,4-10,13H2,1-3H3
InChIKeyZYJRNBVKPMQYRD-UHFFFAOYSA-N
XLogP2.33
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.42
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-propan-2-yl-N-propylthian-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,N-bis(3-methylbutyl)thian-3-amine
CID 107869460
4-(aminomethyl)-N-propan-2-yl-N-propyloxepan-4-amine
CID 65079379
1-(aminomethyl)-3,3-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine
CID 80705046
3-(aminomethyl)-5-methyl-N-propan-2-yl-N-propylthiolan-3-amine
CID 79950217
3-(aminomethyl)-N-methyl-N-pentan-2-ylthiolan-3-amine
CID 43571900
3-(aminomethyl)-N-(2-methoxyethyl)-N-methylthian-3-amine
CID 62872376
3-(aminomethyl)-N-(cyclobutylmethyl)-N-ethylthian-3-amine
CID 107397873
3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine
CID 62871304
1-(aminomethyl)-2,2-dimethyl-N-propan-2-yl-N-propylcyclopentan-1-amine
CID 79857560
3-(aminomethyl)-N-[1-(2-fluorophenyl)ethyl]-N-methylthian-3-amine
CID 62978435
3-(aminomethyl)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylthian-3-amine
CID 65484696
4-(aminomethyl)-1-methyl-N-pentyl-N-propan-2-ylazepan-4-amine
CID 65075464

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine?
The IUPAC name of 3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine (CID 62871309) is 3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine is CCCN(C(C)C)C1(CN)CCCSC1.
What is the InChIKey of 3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine?
The InChIKey is ZYJRNBVKPMQYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2S/c1-4-7-14(11(2)3)12(9-13)6-5-8-15-10-12/h11H,4-10,13H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine?
3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine has a molecular weight of 230.42 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-propan-2-yl-N-propylthian-3-amine is sourced from PubChem (CID 62871309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).