1-decyl-4,5-dihydroimidazol-2-amine

C13H27N3 — CID 154199553

IUPAC1-decyl-4,5-dihydroimidazol-2-amine
SMILESCCCCCCCCCCN1CCN=C1N
InChIInChI=1S/C13H27N3/c1-2-3-4-5-6-7-8-9-11-16-12-10-15-13(16)14/h2-12H2,1H3,(H2,14,15)
InChIKeyHIUUMZNSMYTIIB-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.76
Rot. Bonds9

About 1-decyl-4,5-dihydroimidazol-2-amine

1-decyl-4,5-dihydroimidazol-2-amine (PubChem CID 154199553) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-decyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-decyl-4,5-dihydroimidazol-2-amine
PubChem CID154199553
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-decyl-4,5-dihydroimidazol-2-amine
SMILESCCCCCCCCCCN1CCN=C1N
InChIInChI=1S/C13H27N3/c1-2-3-4-5-6-7-8-9-11-16-12-10-15-13(16)14/h2-12H2,1H3,(H2,14,15)
InChIKeyHIUUMZNSMYTIIB-UHFFFAOYSA-N
XLogP2.76
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.76
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

1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid
CID 161184867
1-heptyl-2-methyl-4,5-dihydroimidazole
CID 15395015
2-chloro-1-hexadecyl-4,5-dihydroimidazole
CID 139656970
1-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
1-(4-cyclohexylbutyl)-4,5-dihydroimidazol-2-amine;ethane;methanol;propane
CID 144911705
N,1-dipentyl-4,5-dihydroimidazol-2-amine
CID 70596750
1-(7-methyltetradecan-7-yl)-4,5-dihydroimidazol-2-amine
CID 170311743
CID 59630135
CID 59630135
1-butyl-2-[(E)-heptadec-1-enyl]-4,5-dihydroimidazole
CID 19010192
2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518
1,3-dioctylimidazolidin-2-one
CID 19987667
(2-pentyl-4,5-dihydroimidazol-1-yl)methanamine
CID 69018271

Frequently Asked Questions

What is the IUPAC name of 1-decyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-decyl-4,5-dihydroimidazol-2-amine (CID 154199553) is 1-decyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-decyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-decyl-4,5-dihydroimidazol-2-amine is CCCCCCCCCCN1CCN=C1N.
What is the InChIKey of 1-decyl-4,5-dihydroimidazol-2-amine?
The InChIKey is HIUUMZNSMYTIIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-2-3-4-5-6-7-8-9-11-16-12-10-15-13(16)14/h2-12H2,1H3,(H2,14,15).
What are the key properties of 1-decyl-4,5-dihydroimidazol-2-amine?
1-decyl-4,5-dihydroimidazol-2-amine has a molecular weight of 225.38 g/mol, XLogP of 2.76, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 154199553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).