N-(2-methyl-2-thiophen-2-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine

C11H17N3S — CID 115627646

IUPACN-(2-methyl-2-thiophen-2-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(C)(CNC1=NCCN1)c1cccs1
InChIInChI=1S/C11H17N3S/c1-11(2,9-4-3-7-15-9)8-14-10-12-5-6-13-10/h3-4,7H,5-6,8H2,1-2H3,(H2,12,13,14)
InChIKeyLIDPLEBMFXAFNS-UHFFFAOYSA-N
MW223.34 g/mol
LogP1.57
Rot. Bonds3

About N-(2-methyl-2-thiophen-2-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine

N-(2-methyl-2-thiophen-2-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine (PubChem CID 115627646) has the molecular formula C11H17N3S and a molecular weight of 223.34 g/mol. Its IUPAC name is N-(2-methyl-2-thiophen-2-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine.

Molecular Properties

Compound NameN-(2-methyl-2-thiophen-2-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine
PubChem CID115627646
Molecular FormulaC11H17N3S
Molecular Weight223.34 g/mol
Exact Mass223.11
IUPAC NameN-(2-methyl-2-thiophen-2-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine
SMILESCC(C)(CNC1=NCCN1)c1cccs1
InChIInChI=1S/C11H17N3S/c1-11(2,9-4-3-7-15-9)8-14-10-12-5-6-13-10/h3-4,7H,5-6,8H2,1-2H3,(H2,12,13,14)
InChIKeyLIDPLEBMFXAFNS-UHFFFAOYSA-N
XLogP1.57
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.34
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine?
The IUPAC name of N-(2-methyl-2-thiophen-2-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine (CID 115627646) is N-(2-methyl-2-thiophen-2-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine.
What is the SMILES notation for N-(2-methyl-2-thiophen-2-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine?
The canonical SMILES for N-(2-methyl-2-thiophen-2-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine is CC(C)(CNC1=NCCN1)c1cccs1.
What is the InChIKey of N-(2-methyl-2-thiophen-2-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine?
The InChIKey is LIDPLEBMFXAFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S/c1-11(2,9-4-3-7-15-9)8-14-10-12-5-6-13-10/h3-4,7H,5-6,8H2,1-2H3,(H2,12,13,14).
What are the key properties of N-(2-methyl-2-thiophen-2-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine?
N-(2-methyl-2-thiophen-2-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine has a molecular weight of 223.34 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-2-thiophen-2-ylpropyl)-4,5-dihydro-1H-imidazol-2-amine is sourced from PubChem (CID 115627646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).