2-ethyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]hexan-1-amine

C15H31N3 — CID 174948150

IUPAC2-ethyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]hexan-1-amine
SMILESCCCCC(CC)CNCCCN1C=CN(C)C1
InChIInChI=1S/C15H31N3/c1-4-6-8-15(5-2)13-16-9-7-10-18-12-11-17(3)14-18/h11-12,15-16H,4-10,13-14H2,1-3H3
InChIKeyBZOYYGQACRTXIE-UHFFFAOYSA-N
MW253.43 g/mol
LogP2.86
Rot. Bonds10

About 2-ethyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]hexan-1-amine

2-ethyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]hexan-1-amine (PubChem CID 174948150) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-ethyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]hexan-1-amine
PubChem CID174948150
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-ethyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]hexan-1-amine
SMILESCCCCC(CC)CNCCCN1C=CN(C)C1
InChIInChI=1S/C15H31N3/c1-4-6-8-15(5-2)13-16-9-7-10-18-12-11-17(3)14-18/h11-12,15-16H,4-10,13-14H2,1-3H3
InChIKeyBZOYYGQACRTXIE-UHFFFAOYSA-N
XLogP2.86
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Decyl-2-methyl-1,2-dihydroimidazole
CID 19047636
3-(2-ethylhexyl)-2-methyl-2,6-dihydro-1H-pyrimidine
CID 21486750
3-(Cyclopentylmethyl)-1,2-dihydroimidazole
CID 59091162
1-(2-ethylhexyl)-3-methyl-2H-imidazole
CID 85966754
3-(4-Methylhexyl)-1,2-dihydroimidazole
CID 90687471
1-ethenyl-3-(2-ethylhexyl)-2H-imidazole
CID 123232933
[4-(1,2-Dihydroimidazol-3-yl)cyclohexyl]methanamine;ethane
CID 143829306
2-Methyl-3-(3-methylpentyl)-1,2-dihydroimidazole
CID 146490523
3-[(3R)-5,5-dimethyl-1-[1-(methylamino)ethenyl]pyrrolidin-3-yl]propan-1-amine
CID 156092230
1-N'-(4-ethylheptyl)ethene-1,1-diamine
CID 156147847
3-(4-Methylpentyl)-1,2-dihydroimidazole
CID 162769979
3-Methyl-2-(4-methylhexyl)-1,2-dihydroimidazole
CID 166971653

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]hexan-1-amine (CID 174948150) is 2-ethyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]hexan-1-amine is CCCCC(CC)CNCCCN1C=CN(C)C1.
What is the InChIKey of 2-ethyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]hexan-1-amine?
The InChIKey is BZOYYGQACRTXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-4-6-8-15(5-2)13-16-9-7-10-18-12-11-17(3)14-18/h11-12,15-16H,4-10,13-14H2,1-3H3.
What are the key properties of 2-ethyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]hexan-1-amine?
2-ethyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]hexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 2.86, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-(3-methyl-2H-imidazol-1-yl)propyl]hexan-1-amine is sourced from PubChem (CID 174948150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).