N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine

C14H23ClN2S — CID 62554893

IUPACN-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCNCc1ccc(Cl)s1)C1CC1
InChIInChI=1S/C14H23ClN2S/c1-11(2)10-17(12-3-4-12)8-7-16-9-13-5-6-14(15)18-13/h5-6,11-12,16H,3-4,7-10H2,1-2H3
InChIKeyBOIHAXOVYSZHDN-UHFFFAOYSA-N
MW286.87 g/mol
LogP3.61
Rot. Bonds8

About N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine

N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine (PubChem CID 62554893) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
PubChem CID62554893
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC NameN-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine
SMILESCC(C)CN(CCNCc1ccc(Cl)s1)C1CC1
InChIInChI=1S/C14H23ClN2S/c1-11(2)10-17(12-3-4-12)8-7-16-9-13-5-6-14(15)18-13/h5-6,11-12,16H,3-4,7-10H2,1-2H3
InChIKeyBOIHAXOVYSZHDN-UHFFFAOYSA-N
XLogP3.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-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'-cyclopropyl-N'-(2-methylpropyl)-N-[(5-methylthiophen-2-yl)methyl]ethane-1,2-diamine
CID 62555061
N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(thiophen-2-ylmethyl)ethane-1,2-diamine
CID 62557593
N-[(5-chlorothiophen-2-yl)methyl]-N'-(4-ethylcyclohexyl)-N'-methylethane-1,2-diamine
CID 63504010
N-[(5-chlorothiophen-2-yl)methyl]-N'-(3,3-dimethylbutan-2-yl)-N'-methylethane-1,2-diamine
CID 62554509
N-[(5-chlorothiophen-2-yl)methyl]-N',N'-diethylethane-1,2-diamine
CID 28580132
N-[(5-bromothiophen-2-yl)methyl]-N'-cyclopropyl-N'-ethylethane-1,2-diamine
CID 103637840
N-[(5-chlorothiophen-2-yl)methyl]-N'-[2-(dimethylamino)ethyl]-N'-methylethane-1,2-diamine
CID 63726347
N-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62559997
5-[[2-[cyclopropyl(ethyl)amino]ethylamino]methyl]thiophene-2-carbonitrile
CID 113250087
N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 62567503
N-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-N'-(4-methylphenyl)ethane-1,2-diamine
CID 62554583
2-[(5-chlorothiophen-2-yl)methylamino]ethanol
CID 28878613

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine (CID 62554893) is N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine is CC(C)CN(CCNCc1ccc(Cl)s1)C1CC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine?
The InChIKey is BOIHAXOVYSZHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2S/c1-11(2)10-17(12-3-4-12)8-7-16-9-13-5-6-14(15)18-13/h5-6,11-12,16H,3-4,7-10H2,1-2H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine?
N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine has a molecular weight of 286.87 g/mol, XLogP of 3.61, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)methyl]-N'-cyclopropyl-N'-(2-methylpropyl)ethane-1,2-diamine is sourced from PubChem (CID 62554893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).