3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine

C14H28N2S — CID 79950104

IUPAC3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine
SMILESCC1CC(CN)(N(C)C2CCCCCC2)CS1
InChIInChI=1S/C14H28N2S/c1-12-9-14(10-15,11-17-12)16(2)13-7-5-3-4-6-8-13/h12-13H,3-11,15H2,1-2H3
InChIKeyCSCUTXHVTOJGJN-UHFFFAOYSA-N
MW256.46 g/mol
LogP2.86
Rot. Bonds3

About 3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine

3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine (PubChem CID 79950104) has the molecular formula C14H28N2S and a molecular weight of 256.46 g/mol. Its IUPAC name is 3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine
PubChem CID79950104
Molecular FormulaC14H28N2S
Molecular Weight256.46 g/mol
Exact Mass256.20
IUPAC Name3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine
SMILESCC1CC(CN)(N(C)C2CCCCCC2)CS1
InChIInChI=1S/C14H28N2S/c1-12-9-14(10-15,11-17-12)16(2)13-7-5-3-4-6-8-13/h12-13H,3-11,15H2,1-2H3
InChIKeyCSCUTXHVTOJGJN-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-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

N-[1-(aminomethyl)cyclopropyl]-N-methylcyclohexanamine
CID 106660997
N-[1-(aminomethyl)-3-methylcyclopentyl]-N-methylcyclohexanamine
CID 64501146
1-(aminomethyl)-N-cyclohexyl-N,4-dimethylcyclohexan-1-amine
CID 43409627
3-(aminomethyl)-N-cyclohexyl-N-methylthian-3-amine
CID 62871304
N-[1-(aminomethyl)-3-methoxycyclobutyl]-N-methylcyclohexanamine
CID 106821681
3-(aminomethyl)-N-cycloheptyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43613913
3-(aminomethyl)-N-cyclopentyl-N,5,5-trimethylthian-3-amine
CID 79958338
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-N-methylcycloheptanamine
CID 64622550
3-(aminomethyl)-N-cyclopentyl-N,8-dimethyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43267019
3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
CID 79950113
3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine
CID 79950945
4-(aminomethyl)-N-cyclohexyl-N-methyl-1,1-dioxothian-4-amine
CID 54982945

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine?
The IUPAC name of 3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine (CID 79950104) is 3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine is CC1CC(CN)(N(C)C2CCCCCC2)CS1.
What is the InChIKey of 3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine?
The InChIKey is CSCUTXHVTOJGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2S/c1-12-9-14(10-15,11-17-12)16(2)13-7-5-3-4-6-8-13/h12-13H,3-11,15H2,1-2H3.
What are the key properties of 3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine?
3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine has a molecular weight of 256.46 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine is sourced from PubChem (CID 79950104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).