2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine

C10H18N2S — CID 62056560

IUPAC2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine
SMILESCc1ccc(CNCC(C)(C)N)s1
InChIInChI=1S/C10H18N2S/c1-8-4-5-9(13-8)6-12-7-10(2,3)11/h4-5,12H,6-7,11H2,1-3H3
InChIKeyJWLFATVSYMNPOK-UHFFFAOYSA-N
MW198.33 g/mol
LogP1.88
Rot. Bonds4

About 2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine

2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine (PubChem CID 62056560) has the molecular formula C10H18N2S and a molecular weight of 198.33 g/mol. Its IUPAC name is 2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine
PubChem CID62056560
Molecular FormulaC10H18N2S
Molecular Weight198.33 g/mol
Exact Mass198.12
IUPAC Name2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine
SMILESCc1ccc(CNCC(C)(C)N)s1
InChIInChI=1S/C10H18N2S/c1-8-4-5-9(13-8)6-12-7-10(2,3)11/h4-5,12H,6-7,11H2,1-3H3
InChIKeyJWLFATVSYMNPOK-UHFFFAOYSA-N
XLogP1.88
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,3-dimethyl-1-N-[(5-methylthiophen-2-yl)methyl]butane-1,2-diamine
CID 112555984
2-methyl-1-methylsulfanyl-3-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111437042
4,4-dimethyl-5-[(5-methylthiophen-2-yl)methylamino]pentanenitrile
CID 115652255
2-methyl-N-[(5-methylthiophen-2-yl)methyl]-2-thiophen-2-ylpropan-1-amine
CID 78963375
2-(furan-2-yl)-1-[(5-methylthiophen-2-yl)methylamino]propan-2-ol
CID 111468670
4-[[(5-methylthiophen-2-yl)methylamino]methyl]oxolan-3-amine
CID 66235309
3,3-dimethyl-N'-[(5-methylthiophen-2-yl)methyl]hexane-1,6-diamine
CID 65296351
N-(2-amino-2-methylpropyl)-2-(5-methylthiophen-2-yl)acetamide
CID 119626700
N-[(5-methylthiophen-2-yl)methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924305
N-[(5-methylthiophen-2-yl)methyl]but-2-yn-1-amine
CID 62310353
3-amino-2,2-dimethyl-N-[(5-methylthiophen-2-yl)methyl]propanamide
CID 81489224
1-N-[(5-methylthiophen-2-yl)methyl]butane-1,3-diamine
CID 62056567

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine (CID 62056560) is 2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine is Cc1ccc(CNCC(C)(C)N)s1.
What is the InChIKey of 2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine?
The InChIKey is JWLFATVSYMNPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2S/c1-8-4-5-9(13-8)6-12-7-10(2,3)11/h4-5,12H,6-7,11H2,1-3H3.
What are the key properties of 2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine?
2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine has a molecular weight of 198.33 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-[(5-methylthiophen-2-yl)methyl]propane-1,2-diamine is sourced from PubChem (CID 62056560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).