2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine

C15H29N3O — CID 106009311

IUPAC2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncn1CCCCOC(C)C
InChIInChI=1S/C15H29N3O/c1-13(2)9-16-10-15-11-17-12-18(15)7-5-6-8-19-14(3)4/h11-14,16H,5-10H2,1-4H3
InChIKeySDQHUIFFQMETOP-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.83
Rot. Bonds10

About 2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine

2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine (PubChem CID 106009311) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine
PubChem CID106009311
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine
SMILESCC(C)CNCc1cncn1CCCCOC(C)C
InChIInChI=1S/C15H29N3O/c1-13(2)9-16-10-15-11-17-12-18(15)7-5-6-8-19-14(3)4/h11-14,16H,5-10H2,1-4H3
InChIKeySDQHUIFFQMETOP-UHFFFAOYSA-N
XLogP2.83
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]-N-propan-2-ylbutan-1-amine
CID 66150962
[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methanamine
CID 106009318
N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 104766858
N-[[3-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66146061
2-methoxy-N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]ethanamine
CID 113450980
5-methyl-1-(4-propan-2-yloxybutyl)imidazole
CID 116798985
N-butan-2-yl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]propanamide
CID 66149485
2-methyl-N-[[3-(2-pyridin-4-ylethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66145702
N-[[3-(2,3-dimethylbutyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66149137
2-methoxy-N-[(3-propylimidazol-4-yl)methyl]propan-1-amine
CID 102696680
4-[5-(ethylaminomethyl)imidazol-1-yl]-N-methyl-N-propan-2-ylbutan-1-amine
CID 66151168
N-[[3-[(4-chlorophenyl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147520

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine (CID 106009311) is 2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine is CC(C)CNCc1cncn1CCCCOC(C)C.
What is the InChIKey of 2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is SDQHUIFFQMETOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-13(2)9-16-10-15-11-17-12-18(15)7-5-6-8-19-14(3)4/h11-14,16H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine?
2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 2.83, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(4-propan-2-yloxybutyl)imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 106009311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).