N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine

C10H19N3 — CID 64546852

IUPACN-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine
SMILESCCCC(C)CNCc1ncc[nH]1
InChIInChI=1S/C10H19N3/c1-3-4-9(2)7-11-8-10-12-5-6-13-10/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyDIMUNTGDQNVALK-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.94
Rot. Bonds6

About N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine

N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine (PubChem CID 64546852) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine.

Molecular Properties

Compound NameN-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine
PubChem CID64546852
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine
SMILESCCCC(C)CNCc1ncc[nH]1
InChIInChI=1S/C10H19N3/c1-3-4-9(2)7-11-8-10-12-5-6-13-10/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,12,13)
InChIKeyDIMUNTGDQNVALK-UHFFFAOYSA-N
XLogP1.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine?
The IUPAC name of N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine (CID 64546852) is N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine.
What is the SMILES notation for N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine?
The canonical SMILES for N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine is CCCC(C)CNCc1ncc[nH]1.
What is the InChIKey of N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine?
The InChIKey is DIMUNTGDQNVALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-4-9(2)7-11-8-10-12-5-6-13-10/h5-6,9,11H,3-4,7-8H2,1-2H3,(H,12,13).
What are the key properties of N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine?
N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-imidazol-2-ylmethyl)-2-methylpentan-1-amine is sourced from PubChem (CID 64546852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).