2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine

C13H21ClN2S — CID 62430146

IUPAC2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CNC1CC1)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2S/c1-3-11(8-15-10-4-5-10)16(2)9-12-6-7-13(14)17-12/h6-7,10-11,15H,3-5,8-9H2,1-2H3
InChIKeyGVWAOALHKBBAHT-UHFFFAOYSA-N
MW272.84 g/mol
LogP3.36
Rot. Bonds7

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

2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine (PubChem CID 62430146) has the molecular formula C13H21ClN2S and a molecular weight of 272.84 g/mol. Its IUPAC name is 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine
PubChem CID62430146
Molecular FormulaC13H21ClN2S
Molecular Weight272.84 g/mol
Exact Mass272.11
IUPAC Name2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine
SMILESCCC(CNC1CC1)N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H21ClN2S/c1-3-11(8-15-10-4-5-10)16(2)9-12-6-7-13(14)17-12/h6-7,10-11,15H,3-5,8-9H2,1-2H3
InChIKeyGVWAOALHKBBAHT-UHFFFAOYSA-N
XLogP3.36
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.84
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62429792
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-N'-hydroxypentanimidamide
CID 61442424
N-[(5-chlorothiophen-2-yl)methyl]-3-(cyclopropylamino)-N-methylpropanamide
CID 54869433
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61438347
1-N-cyclopropyl-2-N-(cyclopropylmethyl)-2-N-methylbutane-1,2-diamine
CID 62428340
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61438257
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-dimethylpentane-1,2-diamine
CID 61438169
N-[2-[(5-chlorothiophen-2-yl)methyl]-2,3-dimethylbutyl]cyclopropanamine
CID 83151192
N-[[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62428902
N-[2-[(5-chlorothiophen-2-yl)methyl]-3-(2-methylphenyl)propyl]cyclopropanamine
CID 63523373
1-N-cyclopropyl-2-N-methyl-2-N-[(4-methylphenyl)methyl]pentane-1,2-diamine
CID 83043630
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N-methyl-1-N-prop-2-enylpropane-1,2-diamine
CID 62569774

Frequently Asked Questions

What is the IUPAC name of 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine?
The IUPAC name of 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine (CID 62430146) is 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine is CCC(CNC1CC1)N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine?
The InChIKey is GVWAOALHKBBAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2S/c1-3-11(8-15-10-4-5-10)16(2)9-12-6-7-13(14)17-12/h6-7,10-11,15H,3-5,8-9H2,1-2H3.
What are the key properties of 2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine?
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine has a molecular weight of 272.84 g/mol, XLogP of 3.36, 7 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]-1-N-cyclopropyl-2-N-methylbutane-1,2-diamine is sourced from PubChem (CID 62430146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).