2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine

C14H27N3 — CID 114004575

IUPAC2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine
SMILESCCCCC(CC)CNCCCn1ccnc1
InChIInChI=1S/C14H27N3/c1-3-5-7-14(4-2)12-15-8-6-10-17-11-9-16-13-17/h9,11,13-15H,3-8,10,12H2,1-2H3
InChIKeyUTMCXDUNSUEJST-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.08
Rot. Bonds10

About 2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine

2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine (PubChem CID 114004575) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine
PubChem CID114004575
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine
SMILESCCCCC(CC)CNCCCn1ccnc1
InChIInChI=1S/C14H27N3/c1-3-5-7-14(4-2)12-15-8-6-10-17-11-9-16-13-17/h9,11,13-15H,3-8,10,12H2,1-2H3
InChIKeyUTMCXDUNSUEJST-UHFFFAOYSA-N
XLogP3.08
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.08
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

(2R)-N-(3-imidazol-1-ylpropyl)-2-methylpentan-1-amine
CID 28993669
N'-(3-imidazol-1-ylpropyl)-N-propylethane-1,2-diamine
CID 53216159
N-(2,2-difluoroethyl)-3-imidazol-1-ylpropan-1-amine
CID 115406678
(5R)-1-imidazol-1-ylnonan-5-ol
CID 118889923
N-(3-imidazol-1-ylpropyl)-2-methoxypropan-1-amine
CID 102698134
1-(2-ethyltridecyl)imidazole;hydrochloride
CID 175493455
(5R)-10-imidazol-1-yldecan-5-ol
CID 118889895
1-[(5S)-5-ethyl-8,8-dimethylnonyl]imidazole
CID 118887732
2-ethyl-N-pentylhexan-1-amine
CID 43081963
2-(4-imidazol-1-ylbutyl)heptan-1-ol
CID 174409520
bis(2-ethylhexyl) hydrogen phosphate;1-butylimidazole
CID 175738721
(5S)-1-imidazol-1-yldecan-5-ol
CID 118890121

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine?
The IUPAC name of 2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine (CID 114004575) is 2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine?
The canonical SMILES for 2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine is CCCCC(CC)CNCCCn1ccnc1.
What is the InChIKey of 2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine?
The InChIKey is UTMCXDUNSUEJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-3-5-7-14(4-2)12-15-8-6-10-17-11-9-16-13-17/h9,11,13-15H,3-8,10,12H2,1-2H3.
What are the key properties of 2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine?
2-ethyl-N-(3-imidazol-1-ylpropyl)hexan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.08, 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-imidazol-1-ylpropyl)hexan-1-amine is sourced from PubChem (CID 114004575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).