4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine

C15H25ClN2S — CID 79112286

IUPAC4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(C)c1ccc(Cl)s1
InChIInChI=1S/C15H25ClN2S/c1-3-10-18(13-6-4-12(17)5-7-13)11(2)14-8-9-15(16)19-14/h8-9,11-13H,3-7,10,17H2,1-2H3
InChIKeyRXKGZFNKCUOFKY-UHFFFAOYSA-N
MW300.90 g/mol
LogP4.44
Rot. Bonds5

About 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine

4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79112286) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
PubChem CID79112286
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC Name4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(C1CCC(N)CC1)C(C)c1ccc(Cl)s1
InChIInChI=1S/C15H25ClN2S/c1-3-10-18(13-6-4-12(17)5-7-13)11(2)14-8-9-15(16)19-14/h8-9,11-13H,3-7,10,17H2,1-2H3
InChIKeyRXKGZFNKCUOFKY-UHFFFAOYSA-N
XLogP4.44
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-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-[1-(5-chlorothiophen-2-yl)ethyl-cyclopropylamino]propanoic acid
CID 65054983
N-[1-(5-chlorothiophen-2-yl)ethyl]-N-ethylazetidin-3-amine
CID 66184209
4-N-[1-(2-bromophenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79111922
4-N-[1-(3,4-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79116500
4-N-[1-(2,5-dimethylphenyl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 79113200
4-N-[1-(2-methylpyrazol-3-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine
CID 106758695
4-N-(3-methylbutan-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 79112216
N-[1-(5-ethylthiophen-2-yl)ethyl]-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61333588
1-(5-chlorothiophen-2-yl)-1-N-(4-ethylcyclohexyl)-1-N-methylpropane-1,2-diamine
CID 63404164
4-N-(1-phenylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79111487
N'-[1-(5-chlorothiophen-2-yl)ethyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79667729
4-N-propyl-4-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclohexane-1,4-diamine
CID 79112754

Frequently Asked Questions

What is the IUPAC name of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine (CID 79112286) is 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine is CCCN(C1CCC(N)CC1)C(C)c1ccc(Cl)s1.
What is the InChIKey of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is RXKGZFNKCUOFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-3-10-18(13-6-4-12(17)5-7-13)11(2)14-8-9-15(16)19-14/h8-9,11-13H,3-7,10,17H2,1-2H3.
What are the key properties of 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine?
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 300.90 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[1-(5-chlorothiophen-2-yl)ethyl]-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79112286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).