N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine

C14H29N3 — CID 129144601

IUPACN-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine
SMILESCCCCCCCCNCCCC1=NCCN1
InChIInChI=1S/C14H29N3/c1-2-3-4-5-6-7-10-15-11-8-9-14-16-12-13-17-14/h15H,2-13H2,1H3,(H,16,17)
InChIKeyHKYRUZCLYLKATR-UHFFFAOYSA-N
MW239.41 g/mol
LogP2.72
Rot. Bonds11

About N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine

N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine (PubChem CID 129144601) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine.

Molecular Properties

Compound NameN-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine
PubChem CID129144601
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine
SMILESCCCCCCCCNCCCC1=NCCN1
InChIInChI=1S/C14H29N3/c1-2-3-4-5-6-7-10-15-11-8-9-14-16-12-13-17-14/h15H,2-13H2,1H3,(H,16,17)
InChIKeyHKYRUZCLYLKATR-UHFFFAOYSA-N
XLogP2.72
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(Z)-octadec-9-enyl]-4,5-dihydro-1H-imidazole;hydrochloride
CID 66957865
N-hexyl-4,5-dihydro-1H-imidazol-2-amine
CID 71402010
2,5-dimethyl-4,5-dihydro-1H-imidazole;2-undecyl-4,5-dihydro-1H-imidazole
CID 159869190
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N-hexylhexan-1-amine;hydrochloride
CID 519999
N-octylnonan-1-amine;hydrochloride
CID 90480847
(Z)-1-N'-[2-(4,5-dihydro-1H-imidazol-2-yl)ethyl]icos-11-ene-1,1-diamine
CID 70406813
sulfanium;N-decyldecan-1-amine;chloride
CID 158756952
1-(2-octyl-4,5-dihydroimidazol-1-yl)ethanamine;2-undecyl-4,5-dihydro-1H-imidazole
CID 160698927
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
octane;N-octylnonan-1-amine
CID 145152206

Frequently Asked Questions

What is the IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine?
The IUPAC name of N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine (CID 129144601) is N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine.
What is the SMILES notation for N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine?
The canonical SMILES for N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine is CCCCCCCCNCCCC1=NCCN1.
What is the InChIKey of N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine?
The InChIKey is HKYRUZCLYLKATR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-2-3-4-5-6-7-10-15-11-8-9-14-16-12-13-17-14/h15H,2-13H2,1H3,(H,16,17).
What are the key properties of N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine?
N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 2.72, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]octan-1-amine is sourced from PubChem (CID 129144601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).