N'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine

C15H33N3S — CID 102992122

IUPACN'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)C1(CN)CSC(C)C1
InChIInChI=1S/C15H33N3S/c1-5-17(6-2)9-8-10-18(7-3)15(12-16)11-14(4)19-13-15/h14H,5-13,16H2,1-4H3
InChIKeySXUVXRUVWPGHNA-UHFFFAOYSA-N
MW287.52 g/mol
LogP2.26
Rot. Bonds9

About N'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine

N'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine (PubChem CID 102992122) has the molecular formula C15H33N3S and a molecular weight of 287.52 g/mol. Its IUPAC name is N'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine
PubChem CID102992122
Molecular FormulaC15H33N3S
Molecular Weight287.52 g/mol
Exact Mass287.24
IUPAC NameN'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine
SMILESCCN(CC)CCCN(CC)C1(CN)CSC(C)C1
InChIInChI=1S/C15H33N3S/c1-5-17(6-2)9-8-10-18(7-3)15(12-16)11-14(4)19-13-15/h14H,5-13,16H2,1-4H3
InChIKeySXUVXRUVWPGHNA-UHFFFAOYSA-N
XLogP2.26
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.52
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine 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-butyl-N-ethyl-5-methylthiolan-3-amine
CID 79950939
N'-[1-(aminomethyl)-3,3-dimethylcyclohexyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992110
3-(aminomethyl)-5-methyl-N-propan-2-yl-N-propylthiolan-3-amine
CID 79950217
N'-[4-(aminomethyl)-2,6-dimethyloxan-4-yl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991942
3-(aminomethyl)-N,5-dimethyl-N-(3-methylbutyl)thiolan-3-amine
CID 79950945
3-(aminomethyl)-N-(2-methoxyethyl)-5-methyl-N-pentan-3-ylthiolan-3-amine
CID 79949986
N'-[1-(aminomethyl)cyclopentyl]-N,N,N'-triethylethane-1,2-diamine
CID 62010550
3-(aminomethyl)-N-cycloheptyl-N,5-dimethylthiolan-3-amine
CID 79950104
1-(aminomethyl)-N-ethyl-N-(3-ethylsulfonylpropyl)-3-methylcyclohexan-1-amine
CID 65093979
3-(aminomethyl)-N,5-dimethyl-N-(2-pyrrolidin-1-ylethyl)thiolan-3-amine
CID 79950113
N'-[1-(aminomethyl)-2,2-dimethylcyclopentyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992105
3-(aminomethyl)-N-butyl-N-ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 43131841

Frequently Asked Questions

What is the IUPAC name of N'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine?
The IUPAC name of N'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine (CID 102992122) is N'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine.
What is the SMILES notation for N'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine?
The canonical SMILES for N'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine is CCN(CC)CCCN(CC)C1(CN)CSC(C)C1.
What is the InChIKey of N'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine?
The InChIKey is SXUVXRUVWPGHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3S/c1-5-17(6-2)9-8-10-18(7-3)15(12-16)11-14(4)19-13-15/h14H,5-13,16H2,1-4H3.
What are the key properties of N'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine?
N'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine has a molecular weight of 287.52 g/mol, XLogP of 2.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(aminomethyl)-5-methylthiolan-3-yl]-N,N,N'-triethylpropane-1,3-diamine is sourced from PubChem (CID 102992122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).