2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine

C10H17N3 — CID 103700134

IUPAC2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine
SMILESCC(C)(NCc1ncc[nH]1)C1CC1
InChIInChI=1S/C10H17N3/c1-10(2,8-3-4-8)13-7-9-11-5-6-12-9/h5-6,8,13H,3-4,7H2,1-2H3,(H,11,12)
InChIKeyPSODMILGNBYZIJ-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.69
Rot. Bonds4

About 2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine

2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine (PubChem CID 103700134) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine
PubChem CID103700134
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine
SMILESCC(C)(NCc1ncc[nH]1)C1CC1
InChIInChI=1S/C10H17N3/c1-10(2,8-3-4-8)13-7-9-11-5-6-12-9/h5-6,8,13H,3-4,7H2,1-2H3,(H,11,12)
InChIKeyPSODMILGNBYZIJ-UHFFFAOYSA-N
XLogP1.69
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine?
The IUPAC name of 2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine (CID 103700134) is 2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine.
What is the SMILES notation for 2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine?
The canonical SMILES for 2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine is CC(C)(NCc1ncc[nH]1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine?
The InChIKey is PSODMILGNBYZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2,8-3-4-8)13-7-9-11-5-6-12-9/h5-6,8,13H,3-4,7H2,1-2H3,(H,11,12).
What are the key properties of 2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine?
2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine has a molecular weight of 179.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-(1H-imidazol-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 103700134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).