N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine

C12H21ClN2S — CID 65232938

IUPACN'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C12H21ClN2S/c1-9(2)10(6-14)7-15(3)8-11-4-5-12(13)16-11/h4-5,9-10H,6-8,14H2,1-3H3
InChIKeyVGPFAWUVMGBARK-UHFFFAOYSA-N
MW260.83 g/mol
LogP3.06
Rot. Bonds6

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

N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine (PubChem CID 65232938) has the molecular formula C12H21ClN2S and a molecular weight of 260.83 g/mol. Its IUPAC name is N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
PubChem CID65232938
Molecular FormulaC12H21ClN2S
Molecular Weight260.83 g/mol
Exact Mass260.11
IUPAC NameN'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine
SMILESCC(C)C(CN)CN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C12H21ClN2S/c1-9(2)10(6-14)7-15(3)8-11-4-5-12(13)16-11/h4-5,9-10H,6-8,14H2,1-3H3
InChIKeyVGPFAWUVMGBARK-UHFFFAOYSA-N
XLogP3.06
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 ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(5-chlorothiophen-2-yl)methyl]-1-N,3,3-trimethylbutane-1,2-diamine
CID 112555955
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-phenylpropane-1,3-diamine
CID 61438822
1-(5-chlorothiophen-2-yl)-N-(hydrazinylmethyl)-N-methylmethanamine
CID 115260926
4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-methylbutanoic acid
CID 115220002
(1R)-N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-1-phenylethane-1,2-diamine
CID 112736530
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-dimethylpentane-1,2-diamine
CID 61438169
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,3-dimethylpentane-1,2-diamine
CID 61438257
3-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-(methylamino)propanoic acid
CID 115256176
methyl 2-acetamido-3-[(5-chlorothiophen-2-yl)methyl-methylamino]propanoate
CID 65474202
1-[5-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]thiophen-2-yl]-N-methylmethanamine
CID 107556205
3-N-[2-(5-chlorothiophen-2-yl)ethyl]-3-N-methylpropane-1,2,3-triamine
CID 115120093
2-N-[(5-chlorothiophen-2-yl)methyl]-1-N-ethyl-2-N-methylpropane-1,2-diamine
CID 62429792

Frequently Asked Questions

What is the IUPAC name of N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine (CID 65232938) is N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine is CC(C)C(CN)CN(C)Cc1ccc(Cl)s1.
What is the InChIKey of N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
The InChIKey is VGPFAWUVMGBARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN2S/c1-9(2)10(6-14)7-15(3)8-11-4-5-12(13)16-11/h4-5,9-10H,6-8,14H2,1-3H3.
What are the key properties of N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine?
N'-[(5-chlorothiophen-2-yl)methyl]-N'-methyl-2-propan-2-ylpropane-1,3-diamine has a molecular weight of 260.83 g/mol, XLogP of 3.06, 6 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'-methyl-2-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 65232938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).