5-methyl-N,1-di(propan-2-yl)imidazol-2-amine

C10H19N3 — CID 117190850

IUPAC5-methyl-N,1-di(propan-2-yl)imidazol-2-amine
SMILESCc1cnc(NC(C)C)n1C(C)C
InChIInChI=1S/C10H19N3/c1-7(2)12-10-11-6-9(5)13(10)8(3)4/h6-8H,1-5H3,(H,11,12)
InChIKeyWCRDVLMQESONNP-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.59
Rot. Bonds3

About 5-methyl-N,1-di(propan-2-yl)imidazol-2-amine

5-methyl-N,1-di(propan-2-yl)imidazol-2-amine (PubChem CID 117190850) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-methyl-N,1-di(propan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-N,1-di(propan-2-yl)imidazol-2-amine
PubChem CID117190850
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name5-methyl-N,1-di(propan-2-yl)imidazol-2-amine
SMILESCc1cnc(NC(C)C)n1C(C)C
InChIInChI=1S/C10H19N3/c1-7(2)12-10-11-6-9(5)13(10)8(3)4/h6-8H,1-5H3,(H,11,12)
InChIKeyWCRDVLMQESONNP-UHFFFAOYSA-N
XLogP2.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N,1-di(propan-2-yl)imidazol-2-amine?
The IUPAC name of 5-methyl-N,1-di(propan-2-yl)imidazol-2-amine (CID 117190850) is 5-methyl-N,1-di(propan-2-yl)imidazol-2-amine.
What is the SMILES notation for 5-methyl-N,1-di(propan-2-yl)imidazol-2-amine?
The canonical SMILES for 5-methyl-N,1-di(propan-2-yl)imidazol-2-amine is Cc1cnc(NC(C)C)n1C(C)C.
What is the InChIKey of 5-methyl-N,1-di(propan-2-yl)imidazol-2-amine?
The InChIKey is WCRDVLMQESONNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-7(2)12-10-11-6-9(5)13(10)8(3)4/h6-8H,1-5H3,(H,11,12).
What are the key properties of 5-methyl-N,1-di(propan-2-yl)imidazol-2-amine?
5-methyl-N,1-di(propan-2-yl)imidazol-2-amine has a molecular weight of 181.28 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N,1-di(propan-2-yl)imidazol-2-amine is sourced from PubChem (CID 117190850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).