2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine

C14H27N3 — CID 66150352

IUPAC2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)CCCn1cncc1CNC(C)(C)C
InChIInChI=1S/C14H27N3/c1-12(2)7-6-8-17-11-15-9-13(17)10-16-14(3,4)5/h9,11-12,16H,6-8,10H2,1-5H3
InChIKeyHUQBZDOOZXVQOL-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.21
Rot. Bonds6

About 2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine

2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine (PubChem CID 66150352) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine
PubChem CID66150352
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine
SMILESCC(C)CCCn1cncc1CNC(C)(C)C
InChIInChI=1S/C14H27N3/c1-12(2)7-6-8-17-11-15-9-13(17)10-16-14(3,4)5/h9,11-12,16H,6-8,10H2,1-5H3
InChIKeyHUQBZDOOZXVQOL-UHFFFAOYSA-N
XLogP3.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-butylimidazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66146275
N-[[3-[3-(3,5-dimethylpyrazol-1-yl)propyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 114541567
4-[5-[(tert-butylamino)methyl]imidazol-1-yl]-N-cyclopropylbutanamide
CID 79401031
5-methyl-N-[(3-propylimidazol-4-yl)methyl]hexan-2-amine
CID 66133962
2-methyl-N-[[3-(2-pyridin-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66146912
N-[[3-[2-(furan-2-yl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66148632
2-methyl-N-[[3-(2-thiophen-2-ylethyl)imidazol-4-yl]methyl]propan-2-amine
CID 66147964
N-[[3-[2-(2-fluorophenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66147953
2-methyl-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]propan-2-amine
CID 83169712
N-[[3-[2-(2-methoxyphenyl)ethyl]imidazol-4-yl]methyl]-2-methylpropan-2-amine
CID 106261698
2-methyl-N-[[2-methyl-3-(3-methylbutyl)imidazol-4-yl]methyl]propan-2-amine
CID 65172070
N-methyl-1-[3-(2,3,3-trimethylbutyl)imidazol-4-yl]methanamine
CID 83146515

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine (CID 66150352) is 2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine is CC(C)CCCn1cncc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine?
The InChIKey is HUQBZDOOZXVQOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-12(2)7-6-8-17-11-15-9-13(17)10-16-14(3,4)5/h9,11-12,16H,6-8,10H2,1-5H3.
What are the key properties of 2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine?
2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine has a molecular weight of 237.39 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(4-methylpentyl)imidazol-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 66150352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).