N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine

C13H25N3 — CID 65232388

IUPACN-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine
SMILESCCCCCCC(C)NCCc1cnc[nH]1
InChIInChI=1S/C13H25N3/c1-3-4-5-6-7-12(2)15-9-8-13-10-14-11-16-13/h10-12,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyJHCHOTKSOBKSCB-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.90
Rot. Bonds9

About N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine

N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine (PubChem CID 65232388) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine
PubChem CID65232388
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine
SMILESCCCCCCC(C)NCCc1cnc[nH]1
InChIInChI=1S/C13H25N3/c1-3-4-5-6-7-12(2)15-9-8-13-10-14-11-16-13/h10-12,15H,3-9H2,1-2H3,(H,14,16)
InChIKeyJHCHOTKSOBKSCB-UHFFFAOYSA-N
XLogP2.90
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(1H-imidazol-5-yl)ethyl]butan-2-amine
CID 65232249
5-hexyl-1H-imidazole
CID 14225142
1-(4-butylphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 65230971
(6Z,9Z,28Z,31Z)-N-[3-(1H-imidazol-5-yl)propyl]heptatriaconta-6,9,28,31-tetraen-19-amine
CID 71554451
N-[2-(1H-imidazol-5-yl)ethyl]hexadecanamide
CID 171117218
bis(but-2-enedioic acid);7-[2-(1H-imidazol-5-yl)ethylamino]-N-[4-(trifluoromethyl)phenyl]octanamide
CID 57357684
1-(2,3-difluorophenyl)-N-[2-(1H-imidazol-5-yl)ethyl]ethanamine
CID 114058190
N-octan-2-ylnonan-1-amine
CID 63491715
N-heptan-2-yldodecan-1-amine
CID 63491878
N-octan-2-ylundecan-1-amine
CID 150124606
N-butylundecan-2-amine
CID 90035852
5-[2-(1H-imidazol-5-yl)ethylcarbamoylamino]hexanoic acid
CID 82849089

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine (CID 65232388) is N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine is CCCCCCC(C)NCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine?
The InChIKey is JHCHOTKSOBKSCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-3-4-5-6-7-12(2)15-9-8-13-10-14-11-16-13/h10-12,15H,3-9H2,1-2H3,(H,14,16).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine?
N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 2.90, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]octan-2-amine is sourced from PubChem (CID 65232388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).