N'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine

C10H16N2S — CID 115287820

IUPACN'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCC1CC1NCC(N)c1cccs1
InChIInChI=1S/C10H16N2S/c1-7-5-9(7)12-6-8(11)10-3-2-4-13-10/h2-4,7-9,12H,5-6,11H2,1H3
InChIKeyKRKCFEDOZLWEPI-UHFFFAOYSA-N
MW196.32 g/mol
LogP1.75
Rot. Bonds4

About N'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine

N'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine (PubChem CID 115287820) has the molecular formula C10H16N2S and a molecular weight of 196.32 g/mol. Its IUPAC name is N'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine
PubChem CID115287820
Molecular FormulaC10H16N2S
Molecular Weight196.32 g/mol
Exact Mass196.10
IUPAC NameN'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine
SMILESCC1CC1NCC(N)c1cccs1
InChIInChI=1S/C10H16N2S/c1-7-5-9(7)12-6-8(11)10-3-2-4-13-10/h2-4,7-9,12H,5-6,11H2,1H3
InChIKeyKRKCFEDOZLWEPI-UHFFFAOYSA-N
XLogP1.75
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.32
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-thiophen-2-ylethane-1,2-diamine
CID 115287726
2-(3,4-dimethylpyrrolidin-1-yl)-1-thiophen-2-ylethanamine
CID 115287909
N'-(3-methyl-2-propan-2-ylbutyl)-1-thiophen-2-ylethane-1,2-diamine
CID 102913382
N'-(2-methoxyethyl)-1-thiophen-2-ylethane-1,2-diamine
CID 115287823
N'-methyl-1-thiophen-2-ylpropane-1,3-diamine
CID 74600564
(1R,2R)-1,2-dithiophen-2-ylethane-1,2-diamine
CID 156789144
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
2-methoxy-1-thiophen-2-ylethanamine
CID 58736274
2,3-dimethyl-N-(thiophen-2-ylmethyl)cyclobutan-1-amine
CID 131154099
2-cyclopentyl-1-thiophen-2-ylethanamine
CID 43823389
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111963481
2-(3-methylthiomorpholin-4-yl)-1-thiophen-2-ylethanamine
CID 115287874

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine?
The IUPAC name of N'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine (CID 115287820) is N'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine.
What is the SMILES notation for N'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine?
The canonical SMILES for N'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine is CC1CC1NCC(N)c1cccs1.
What is the InChIKey of N'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine?
The InChIKey is KRKCFEDOZLWEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2S/c1-7-5-9(7)12-6-8(11)10-3-2-4-13-10/h2-4,7-9,12H,5-6,11H2,1H3.
What are the key properties of N'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine?
N'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine has a molecular weight of 196.32 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylcyclopropyl)-1-thiophen-2-ylethane-1,2-diamine is sourced from PubChem (CID 115287820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).