N-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine

C17H25N3 — CID 61326348

IUPACN-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine
SMILESCC(CC(C)(C)c1ccccc1)NCCn1ccnc1
InChIInChI=1S/C17H25N3/c1-15(19-10-12-20-11-9-18-14-20)13-17(2,3)16-7-5-4-6-8-16/h4-9,11,14-15,19H,10,12-13H2,1-3H3
InChIKeyGUHRDXHCJMDQTD-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.23
Rot. Bonds7

About N-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine

N-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine (PubChem CID 61326348) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine
PubChem CID61326348
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine
SMILESCC(CC(C)(C)c1ccccc1)NCCn1ccnc1
InChIInChI=1S/C17H25N3/c1-15(19-10-12-20-11-9-18-14-20)13-17(2,3)16-7-5-4-6-8-16/h4-9,11,14-15,19H,10,12-13H2,1-3H3
InChIKeyGUHRDXHCJMDQTD-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine
CID 61326124
1-methyl-N-(4-methyl-4-phenylpentan-2-yl)pyrazol-3-amine
CID 60809957
N',N'-dimethyl-N-(4-methyl-4-phenylpentan-2-yl)ethane-1,2-diamine
CID 43754808
2-amino-N-(1-imidazol-1-ylpropan-2-yl)-2-phenylpropanamide;dihydrochloride
CID 120595679
N-hexyl-4-methyl-4-phenylpentan-2-amine
CID 43769669
1-cyclopropyl-N-(2-imidazol-1-ylethyl)propan-2-amine
CID 115706510
N-(2-ethylsulfonylethyl)-4-methyl-4-phenylpentan-2-amine
CID 103921230
N-(2-imidazol-1-ylethyl)heptan-2-amine
CID 60688086
N-(2-cyclopentylethyl)-4-methyl-4-phenylpentan-2-amine
CID 63450264
N-(2-imidazol-1-ylethyl)-2-methyl-1-thiophen-2-ylpropan-1-amine
CID 60697416
N-(2-imidazol-1-ylethyl)-3-methyl-2-phenylbutan-1-amine
CID 107876062
N-(3-imidazol-1-ylpropyl)-2-methyl-2-phenylpropanamide
CID 110463413

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine (CID 61326348) is N-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine is CC(CC(C)(C)c1ccccc1)NCCn1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine?
The InChIKey is GUHRDXHCJMDQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-15(19-10-12-20-11-9-18-14-20)13-17(2,3)16-7-5-4-6-8-16/h4-9,11,14-15,19H,10,12-13H2,1-3H3.
What are the key properties of N-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine?
N-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine has a molecular weight of 271.41 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine is sourced from PubChem (CID 61326348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).