2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine

C12H21ClN2S — CID 61438257

IUPAC2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine
SMILESCCC(C)C(CN)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C12H21ClN2S/c1-4-9(2)11(7-14)15(3)8-10-5-6-12(13)16-10/h5-6,9,11H,4,7-8,14H2,1-3H3
InChIKeyIIAOVKBXCCUBOW-UHFFFAOYSA-N
MW260.83 g/mol
LogP3.21
Rot. Bonds6

About 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine

2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine (PubChem CID 61438257) has the molecular formula C12H21ClN2S and a molecular weight of 260.83 g/mol. Its IUPAC name is 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine
PubChem CID61438257
Molecular FormulaC12H21ClN2S
Molecular Weight260.83 g/mol
Exact Mass260.11
IUPAC Name2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine
SMILESCCC(C)C(CN)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C12H21ClN2S/c1-4-9(2)11(7-14)15(3)8-10-5-6-12(13)16-10/h5-6,9,11H,4,7-8,14H2,1-3H3
InChIKeyIIAOVKBXCCUBOW-UHFFFAOYSA-N
XLogP3.21
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.83
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-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

2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-dimethylpentane-1,2-diamine
CID 61438169
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62429792
2-amino-N-[(5-chlorothiophen-2-yl)methyl]-N,3-dimethylpentanamide
CID 54869576
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61438347
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
CID 65232938
N-[(5-chlorothiophen-2-yl)methyl]-1-(furan-2-yl)-N-methylethane-1,2-diamine
CID 61438216
N-[(5-chlorothiophen-2-yl)methyl]-1-(2,6-difluorophenyl)-N-methylethane-1,2-diamine
CID 61438787
N-[(5-chlorothiophen-2-yl)methyl]-1-(3-ethoxyphenyl)-N-methylethane-1,2-diamine
CID 61438444
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62569774
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide
CID 61442424
N-[(5-chlorothiophen-2-yl)methyl]-1-(2,3-dichlorophenyl)-N-methylethane-1,2-diamine
CID 61438735
1-N-[(5-chlorothiophen-2-yl)methyl]-1-N-methyl-1-phenylpropane-1,2-diamine
CID 55017456

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine?
The IUPAC name of 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine (CID 61438257) is 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine.
What is the SMILES notation for 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine?
The canonical SMILES for 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine is CCC(C)C(CN)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine?
The InChIKey is IIAOVKBXCCUBOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2S/c1-4-9(2)11(7-14)15(3)8-10-5-6-12(13)16-10/h5-6,9,11H,4,7-8,14H2,1-3H3.
What are the key properties of 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine?
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine has a molecular weight of 260.83 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine is sourced from PubChem (CID 61438257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).