N-ethyl-N,2-dimethyl-3-(5-methyl-4-phenylimidazol-1-yl)propan-1-amine

C17H25N3 — CID 50970682

IUPACN-ethyl-N,2-dimethyl-3-(5-methyl-4-phenylimidazol-1-yl)propan-1-amine
SMILESCCN(C)CC(C)Cn1cnc(-c2ccccc2)c1C
InChIInChI=1S/C17H25N3/c1-5-19(4)11-14(2)12-20-13-18-17(15(20)3)16-9-7-6-8-10-16/h6-10,13-14H,5,11-12H2,1-4H3
InChIKeyRTDFOVBRQJDSEA-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.45
Rot. Bonds6

About N-ethyl-N,2-dimethyl-3-(5-methyl-4-phenylimidazol-1-yl)propan-1-amine

N-ethyl-N,2-dimethyl-3-(5-methyl-4-phenylimidazol-1-yl)propan-1-amine (PubChem CID 50970682) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-ethyl-N,2-dimethyl-3-(5-methyl-4-phenylimidazol-1-yl)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N,2-dimethyl-3-(5-methyl-4-phenylimidazol-1-yl)propan-1-amine
PubChem CID50970682
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-ethyl-N,2-dimethyl-3-(5-methyl-4-phenylimidazol-1-yl)propan-1-amine
SMILESCCN(C)CC(C)Cn1cnc(-c2ccccc2)c1C
InChIInChI=1S/C17H25N3/c1-5-19(4)11-14(2)12-20-13-18-17(15(20)3)16-9-7-6-8-10-16/h6-10,13-14H,5,11-12H2,1-4H3
InChIKeyRTDFOVBRQJDSEA-UHFFFAOYSA-N
XLogP3.45
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N,2-dimethyl-3-(5-methyl-4-phenylimidazol-1-yl)propan-1-amine?
The IUPAC name of N-ethyl-N,2-dimethyl-3-(5-methyl-4-phenylimidazol-1-yl)propan-1-amine (CID 50970682) is N-ethyl-N,2-dimethyl-3-(5-methyl-4-phenylimidazol-1-yl)propan-1-amine.
What is the SMILES notation for N-ethyl-N,2-dimethyl-3-(5-methyl-4-phenylimidazol-1-yl)propan-1-amine?
The canonical SMILES for N-ethyl-N,2-dimethyl-3-(5-methyl-4-phenylimidazol-1-yl)propan-1-amine is CCN(C)CC(C)Cn1cnc(-c2ccccc2)c1C.
What is the InChIKey of N-ethyl-N,2-dimethyl-3-(5-methyl-4-phenylimidazol-1-yl)propan-1-amine?
The InChIKey is RTDFOVBRQJDSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-19(4)11-14(2)12-20-13-18-17(15(20)3)16-9-7-6-8-10-16/h6-10,13-14H,5,11-12H2,1-4H3.
What are the key properties of N-ethyl-N,2-dimethyl-3-(5-methyl-4-phenylimidazol-1-yl)propan-1-amine?
N-ethyl-N,2-dimethyl-3-(5-methyl-4-phenylimidazol-1-yl)propan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N,2-dimethyl-3-(5-methyl-4-phenylimidazol-1-yl)propan-1-amine is sourced from PubChem (CID 50970682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).