2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride

C9H16Cl2N2S — CID 120840356

IUPAC2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
SMILESCC(CN)N(C)Cc1cc(Cl)cs1.Cl
InChIInChI=1S/C9H15ClN2S.ClH/c1-7(4-11)12(2)5-9-3-8(10)6-13-9;/h3,6-7H,4-5,11H2,1-2H3;1H
InChIKeyAVYYEQHOVMUOKF-UHFFFAOYSA-N
MW255.21 g/mol
LogP2.60
Rot. Bonds4

About 2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride

2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride (PubChem CID 120840356) has the molecular formula C9H16Cl2N2S and a molecular weight of 255.21 g/mol. Its IUPAC name is 2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
PubChem CID120840356
Molecular FormulaC9H16Cl2N2S
Molecular Weight255.21 g/mol
Exact Mass254.04
IUPAC Name2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
SMILESCC(CN)N(C)Cc1cc(Cl)cs1.Cl
InChIInChI=1S/C9H15ClN2S.ClH/c1-7(4-11)12(2)5-9-3-8(10)6-13-9;/h3,6-7H,4-5,11H2,1-2H3;1H
InChIKeyAVYYEQHOVMUOKF-UHFFFAOYSA-N
XLogP2.60
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(4-bromothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride
CID 119924812
N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651270
2-[(4-chlorothiophen-2-yl)methyl-methylamino]propanoic acid
CID 79426680
N'-[(4-chlorothiophen-2-yl)methyl]-N'-methylethane-1,2-diamine
CID 79427187
(1S)-N-[(4-chlorothiophen-2-yl)methyl]-N-methyl-1-[4-[(S)-methylsulfinyl]phenyl]ethanamine
CID 129403201
2-N-methyl-2-N-[(4-propan-2-ylphenyl)methyl]propane-1,2-diamine;hydrochloride
CID 119924728
(1R)-1-(4-chlorothiophen-2-yl)-N,N-dimethylethane-1,2-diamine
CID 124500651
2-[(4-chlorothiophen-2-yl)methyl]-1,1-dimethylhydrazine
CID 83006847
N-[(4-chlorothiophen-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 107165869
1-(4-chlorothiophen-2-yl)-N,N-diethylethane-1,2-diamine
CID 79427710
4-chloro-2-(chloromethyl)thiophene
CID 57161071
1-(4-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-N-methylethane-1,2-diamine
CID 79427830

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
The IUPAC name of 2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride (CID 120840356) is 2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
The canonical SMILES for 2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride is CC(CN)N(C)Cc1cc(Cl)cs1.Cl.
What is the InChIKey of 2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
The InChIKey is AVYYEQHOVMUOKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2S.ClH/c1-7(4-11)12(2)5-9-3-8(10)6-13-9;/h3,6-7H,4-5,11H2,1-2H3;1H.
What are the key properties of 2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride?
2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride has a molecular weight of 255.21 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-chlorothiophen-2-yl)methyl]-2-N-methylpropane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120840356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).