3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine

C16H30N2S — CID 79952322

IUPAC3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine
SMILESCC1SCCCC1(CN)N(C)CC1CC2CCC1C2
InChIInChI=1S/C16H30N2S/c1-12-16(11-17,6-3-7-19-12)18(2)10-15-9-13-4-5-14(15)8-13/h12-15H,3-11,17H2,1-2H3
InChIKeyUGHGFNBLJQVSGY-UHFFFAOYSA-N
MW282.50 g/mol
LogP2.97
Rot. Bonds4

About 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine

3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine (PubChem CID 79952322) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine
PubChem CID79952322
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine
SMILESCC1SCCCC1(CN)N(C)CC1CC2CCC1C2
InChIInChI=1S/C16H30N2S/c1-12-16(11-17,6-3-7-19-12)18(2)10-15-9-13-4-5-14(15)8-13/h12-15H,3-11,17H2,1-2H3
InChIKeyUGHGFNBLJQVSGY-UHFFFAOYSA-N
XLogP2.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.50
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-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-(2-bicyclo[2.2.1]heptanylmethyl)-N-methylthian-3-amine
CID 55232625
1-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,4-dimethylcyclohexan-1-amine
CID 63682928
3-(aminomethyl)-N,2-dimethyl-N-(2-propan-2-yloxyethyl)thian-3-amine
CID 81059407
3-(aminomethyl)-2-methyl-N,N-bis(2-methylpropyl)thian-3-amine
CID 79951219
3-(aminomethyl)-N-ethyl-2-methyl-N-propylthian-3-amine
CID 79957162
3-(aminomethyl)-N,2-dimethyl-N-pentan-3-ylthian-3-amine
CID 79956979
3-(aminomethyl)-N,2-dimethyl-N-(oxan-4-ylmethyl)thiolan-3-amine
CID 114080149
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2,2,5,5-pentamethyloxolan-3-amine
CID 79912262
[1-(2-bicyclo[2.2.1]heptanylmethyl)cyclopentyl]methanamine
CID 79563420
3-(aminomethyl)-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]thian-3-amine
CID 79952313
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-1-(2-bicyclo[2.2.1]heptanyl)-N-methylmethanamine
CID 55233839
3-(aminomethyl)-2-methyl-N-pentyl-N-propan-2-ylthian-3-amine
CID 79952503

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine (CID 79952322) is 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine is CC1SCCCC1(CN)N(C)CC1CC2CCC1C2.
What is the InChIKey of 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine?
The InChIKey is UGHGFNBLJQVSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-12-16(11-17,6-3-7-19-12)18(2)10-15-9-13-4-5-14(15)8-13/h12-15H,3-11,17H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine?
3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine has a molecular weight of 282.50 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(2-bicyclo[2.2.1]heptanylmethyl)-N,2-dimethylthian-3-amine is sourced from PubChem (CID 79952322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).