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

C11H20N2S — CID 103390068

IUPAC2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine
SMILESCc1ccc(CC(C)NC(C)CN)s1
InChIInChI=1S/C11H20N2S/c1-8(13-9(2)7-12)6-11-5-4-10(3)14-11/h4-5,8-9,13H,6-7,12H2,1-3H3
InChIKeyZIUZSRARWAJQGI-UHFFFAOYSA-N
MW212.36 g/mol
LogP1.92
Rot. Bonds5

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

2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine (PubChem CID 103390068) has the molecular formula C11H20N2S and a molecular weight of 212.36 g/mol. Its IUPAC name is 2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine
PubChem CID103390068
Molecular FormulaC11H20N2S
Molecular Weight212.36 g/mol
Exact Mass212.13
IUPAC Name2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine
SMILESCc1ccc(CC(C)NC(C)CN)s1
InChIInChI=1S/C11H20N2S/c1-8(13-9(2)7-12)6-11-5-4-10(3)14-11/h4-5,8-9,13H,6-7,12H2,1-3H3
InChIKeyZIUZSRARWAJQGI-UHFFFAOYSA-N
XLogP1.92
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(5-methylthiophen-2-yl)propan-2-amine
CID 18656698
1-(5-methylthiophen-2-yl)propan-2-ol
CID 13111508
methyl 2-[1-(5-methylthiophen-2-yl)propan-2-ylamino]butanoate
CID 113292625
2-[[1-(5-methylthiophen-2-yl)propan-2-ylamino]methyl]aniline
CID 66416923
N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclopropanamine
CID 103439266
(2S)-2-amino-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propanamide;hydrochloride
CID 119330928
4-N-[1-(5-methylthiophen-2-yl)propan-2-yl]cyclohexane-1,4-diamine
CID 79741971
(2R)-2-amino-3-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79012678
methyl N-[1-(5-methylthiophen-2-yl)propan-2-yl]carbamate
CID 115641171
2-methyl-5-(2-methylbutyl)thiophene
CID 88977809
2-amino-2-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]butanamide
CID 79813438
2,6-dichloro-1-N-[1-(5-methylthiophen-2-yl)propan-2-yl]benzene-1,4-diamine
CID 106890474

Frequently Asked Questions

What is the IUPAC name of 2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine?
The IUPAC name of 2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine (CID 103390068) is 2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine?
The canonical SMILES for 2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine is Cc1ccc(CC(C)NC(C)CN)s1.
What is the InChIKey of 2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine?
The InChIKey is ZIUZSRARWAJQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2S/c1-8(13-9(2)7-12)6-11-5-4-10(3)14-11/h4-5,8-9,13H,6-7,12H2,1-3H3.
What are the key properties of 2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine?
2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine has a molecular weight of 212.36 g/mol, XLogP of 1.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[1-(5-methylthiophen-2-yl)propan-2-yl]propane-1,2-diamine is sourced from PubChem (CID 103390068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).