N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine

C9H15ClN2S — CID 115226362

IUPACN'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine
SMILESCC(C)(CNCN)c1ccc(Cl)s1
InChIInChI=1S/C9H15ClN2S/c1-9(2,5-12-6-11)7-3-4-8(10)13-7/h3-4,12H,5-6,11H2,1-2H3
InChIKeyYTRDZEOTGUHLRT-UHFFFAOYSA-N
MW218.75 g/mol
LogP2.18
Rot. Bonds4

About N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine

N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine (PubChem CID 115226362) has the molecular formula C9H15ClN2S and a molecular weight of 218.75 g/mol. Its IUPAC name is N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine.

Molecular Properties

Compound NameN'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine
PubChem CID115226362
Molecular FormulaC9H15ClN2S
Molecular Weight218.75 g/mol
Exact Mass218.06
IUPAC NameN'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine
SMILESCC(C)(CNCN)c1ccc(Cl)s1
InChIInChI=1S/C9H15ClN2S/c1-9(2,5-12-6-11)7-3-4-8(10)13-7/h3-4,12H,5-6,11H2,1-2H3
InChIKeyYTRDZEOTGUHLRT-UHFFFAOYSA-N
XLogP2.18
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.75
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]ethanol
CID 115216508
2-[[2-(5-chlorothiophen-2-yl)-2-methylpropyl]amino]acetamide
CID 115260344
2-chloro-N-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]acetamide
CID 115162258
3-(5-chlorothiophen-2-yl)-3-methylbutan-1-ol
CID 79838000
3-(5-chlorothiophen-2-yl)-3,3-difluoro-2,2-dimethylpropan-1-amine
CID 116839634
N-[(5-chlorothiophen-2-yl)methyl]-2-methyl-2-thiophen-2-ylpropan-1-amine
CID 78963416
N'-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-2-methylbutane-1,4-diamine
CID 115203520
N-[3-(5-chlorothiophen-2-yl)-3-methylbutyl]cyclopropanamine
CID 79830033
N'-(2-methyl-2-pyridin-4-ylpropyl)methanediamine
CID 115226456
1-N-[2-(5-bromothiophen-2-yl)-2-methylpropyl]-4-methylpentane-1,4-diamine
CID 115205523
4-amino-3-(5-chlorothiophen-2-yl)-3,4-dimethylpentanoic acid
CID 66090953
2-(5-chlorothiophen-2-yl)-2-fluoro-2-phenylethanamine
CID 112566303

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine?
The IUPAC name of N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine (CID 115226362) is N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine.
What is the SMILES notation for N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine?
The canonical SMILES for N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine is CC(C)(CNCN)c1ccc(Cl)s1.
What is the InChIKey of N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine?
The InChIKey is YTRDZEOTGUHLRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN2S/c1-9(2,5-12-6-11)7-3-4-8(10)13-7/h3-4,12H,5-6,11H2,1-2H3.
What are the key properties of N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine?
N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine has a molecular weight of 218.75 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-chlorothiophen-2-yl)-2-methylpropyl]methanediamine is sourced from PubChem (CID 115226362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).