N-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine

C15H21N3 — CID 62042759

IUPACN-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine
SMILESCCCC(Cn1ccnc1-c1ccccc1)NC
InChIInChI=1S/C15H21N3/c1-3-7-14(16-2)12-18-11-10-17-15(18)13-8-5-4-6-9-13/h4-6,8-11,14,16H,3,7,12H2,1-2H3
InChIKeyLMCLRUJKNPFNGV-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.94
Rot. Bonds6

About N-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine

N-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine (PubChem CID 62042759) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine
PubChem CID62042759
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC NameN-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine
SMILESCCCC(Cn1ccnc1-c1ccccc1)NC
InChIInChI=1S/C15H21N3/c1-3-7-14(16-2)12-18-11-10-17-15(18)13-8-5-4-6-9-13/h4-6,8-11,14,16H,3,7,12H2,1-2H3
InChIKeyLMCLRUJKNPFNGV-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine?
The IUPAC name of N-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine (CID 62042759) is N-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine.
What is the SMILES notation for N-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine?
The canonical SMILES for N-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine is CCCC(Cn1ccnc1-c1ccccc1)NC.
What is the InChIKey of N-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine?
The InChIKey is LMCLRUJKNPFNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-3-7-14(16-2)12-18-11-10-17-15(18)13-8-5-4-6-9-13/h4-6,8-11,14,16H,3,7,12H2,1-2H3.
What are the key properties of N-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine?
N-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine has a molecular weight of 243.35 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(2-phenylimidazol-1-yl)pentan-2-amine is sourced from PubChem (CID 62042759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).