N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine

C11H21N3 — CID 61326124

IUPACN-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCCn1ccnc1
InChIInChI=1S/C11H21N3/c1-10(2)8-11(3)13-5-7-14-6-4-12-9-14/h4,6,9-11,13H,5,7-8H2,1-3H3
InChIKeySFOMFPKIXIJKKP-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.91
Rot. Bonds6

About N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine

N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine (PubChem CID 61326124) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine.

Molecular Properties

Compound NameN-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine
PubChem CID61326124
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine
SMILESCC(C)CC(C)NCCn1ccnc1
InChIInChI=1S/C11H21N3/c1-10(2)8-11(3)13-5-7-14-6-4-12-9-14/h4,6,9-11,13H,5,7-8H2,1-3H3
InChIKeySFOMFPKIXIJKKP-UHFFFAOYSA-N
XLogP1.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-N-(2-imidazol-1-ylethyl)propan-2-amine
CID 115706510
N-(2-imidazol-1-ylethyl)heptan-2-amine
CID 60688086
N-(2-imidazol-1-ylethyl)-4-methyl-4-phenylpentan-2-amine
CID 61326348
(2R)-N-(3-imidazol-1-ylpropyl)-1-methoxypropan-2-amine
CID 94210912
1-imidazol-1-yl-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 61491585
N-(2-imidazol-1-ylethyl)-1-(2,4,5-trimethylphenyl)ethanamine
CID 61326129
1-(3,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61324694
1-(4-chlorophenyl)-N-(3-imidazol-1-ylpropyl)propan-2-amine
CID 57069299
N-(2-imidazol-1-ylethyl)-1-(1,3-thiazol-4-yl)ethanamine
CID 115878869
1-(5-bromothiophen-2-yl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61323680
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599
1-(2,4-dimethylphenyl)-N-(2-imidazol-1-ylethyl)ethanamine
CID 61326541

Frequently Asked Questions

What is the IUPAC name of N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine?
The IUPAC name of N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine (CID 61326124) is N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine.
What is the SMILES notation for N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine?
The canonical SMILES for N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine is CC(C)CC(C)NCCn1ccnc1.
What is the InChIKey of N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine?
The InChIKey is SFOMFPKIXIJKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-10(2)8-11(3)13-5-7-14-6-4-12-9-14/h4,6,9-11,13H,5,7-8H2,1-3H3.
What are the key properties of N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine?
N-(2-imidazol-1-ylethyl)-4-methylpentan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 1.91, 6 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-methylpentan-2-amine is sourced from PubChem (CID 61326124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).