N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine

C13H22N2S — CID 65381151

IUPACN-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine
SMILESNCC(NC1CCCCCC1)c1ccsc1
InChIInChI=1S/C13H22N2S/c14-9-13(11-7-8-16-10-11)15-12-5-3-1-2-4-6-12/h7-8,10,12-13,15H,1-6,9,14H2
InChIKeyIAOIVWXFFFEGBL-UHFFFAOYSA-N
MW238.40 g/mol
LogP3.06
Rot. Bonds4

About N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine

N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine (PubChem CID 65381151) has the molecular formula C13H22N2S and a molecular weight of 238.40 g/mol. Its IUPAC name is N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine
PubChem CID65381151
Molecular FormulaC13H22N2S
Molecular Weight238.40 g/mol
Exact Mass238.15
IUPAC NameN-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine
SMILESNCC(NC1CCCCCC1)c1ccsc1
InChIInChI=1S/C13H22N2S/c14-9-13(11-7-8-16-10-11)15-12-5-3-1-2-4-6-12/h7-8,10,12-13,15H,1-6,9,14H2
InChIKeyIAOIVWXFFFEGBL-UHFFFAOYSA-N
XLogP3.06
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.40
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-cycloheptyl-1-thiophen-3-ylethane-1,2-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

N-cyclohexyl-1-(4-methylsulfanylphenyl)ethane-1,2-diamine
CID 65384746
N-cycloheptyl-1-(furan-3-yl)ethane-1,2-diamine
CID 65380747
N-propan-2-yl-1-thiophen-3-ylethane-1,2-diamine
CID 62064771
N-cyclohexyl-1-(3,5-difluorophenyl)ethane-1,2-diamine
CID 106528693
N-cycloheptyl-1-(3,4-dichlorophenyl)ethane-1,2-diamine
CID 65381340
(1R)-N'-cyclopentyl-1-thiophen-3-ylethane-1,2-diamine
CID 69494477
N-cycloheptyl-1-(4-ethoxyphenyl)ethane-1,2-diamine
CID 65379732
ethyl 2-(cyclopentylamino)-2-thiophen-3-ylacetate
CID 54892913
N-(cyclohexylmethyl)-N-methyl-1-thiophen-3-ylethane-1,2-diamine
CID 61444758
1-(5-bromothiophen-2-yl)-N-cycloheptylethane-1,2-diamine
CID 65380337
N-cyclohexyl-1-(3-ethoxyphenyl)ethane-1,2-diamine
CID 65383474
1-(5-bromo-3-pyridinyl)-N-cycloheptylethane-1,2-diamine
CID 113469387

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine?
The IUPAC name of N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine (CID 65381151) is N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine.
What is the SMILES notation for N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine?
The canonical SMILES for N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine is NCC(NC1CCCCCC1)c1ccsc1.
What is the InChIKey of N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine?
The InChIKey is IAOIVWXFFFEGBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2S/c14-9-13(11-7-8-16-10-11)15-12-5-3-1-2-4-6-12/h7-8,10,12-13,15H,1-6,9,14H2.
What are the key properties of N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine?
N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine has a molecular weight of 238.40 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-thiophen-3-ylethane-1,2-diamine is sourced from PubChem (CID 65381151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).