2-nonan-3-yl-4,5-dihydroimidazol-1-amine

C12H25N3 — CID 174587936

IUPAC2-nonan-3-yl-4,5-dihydroimidazol-1-amine
SMILESCCCCCCC(CC)C1=NCCN1N
InChIInChI=1S/C12H25N3/c1-3-5-6-7-8-11(4-2)12-14-9-10-15(12)13/h11H,3-10,13H2,1-2H3
InChIKeyPLJRFIHFOSIHTD-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.57
Rot. Bonds7

About 2-nonan-3-yl-4,5-dihydroimidazol-1-amine

2-nonan-3-yl-4,5-dihydroimidazol-1-amine (PubChem CID 174587936) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-nonan-3-yl-4,5-dihydroimidazol-1-amine.

Molecular Properties

Compound Name2-nonan-3-yl-4,5-dihydroimidazol-1-amine
PubChem CID174587936
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name2-nonan-3-yl-4,5-dihydroimidazol-1-amine
SMILESCCCCCCC(CC)C1=NCCN1N
InChIInChI=1S/C12H25N3/c1-3-5-6-7-8-11(4-2)12-14-9-10-15(12)13/h11H,3-10,13H2,1-2H3
InChIKeyPLJRFIHFOSIHTD-UHFFFAOYSA-N
XLogP2.57
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tridecan-3-yl-4,5-dihydro-1H-imidazole
CID 22280920
3-decan-5-yl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
CID 174170565
2-[2-[(Z)-octadec-9-en-2-yl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 70199879
1-decyl-4,5-dihydroimidazol-2-amine
CID 154199553
2-(2-hexadecan-2-yl-4,5-dihydroimidazol-1-yl)ethyl hydrogen sulfate
CID 87763013
2-(2-heptadec-1-en-9-yl-4,5-dihydroimidazol-1-yl)ethanol;phosphoric acid
CID 70615729
2-[(3R)-decan-3-yl]pyrimidine
CID 177414924
1-dodecyl-4,5-dihydroimidazol-2-amine;hypochlorous acid
CID 161184867
1-(2-decyl-4,5-dihydroimidazol-1-yl)ethanamine
CID 57179033
1-methyl-2-nonan-3-ylimidazole
CID 138628571
1,4-dimethyl-5-nonan-3-ylpyrazole
CID 138654600
2-(4,5-dihydro-1,3-oxazol-2-yl)decan-1-ol
CID 22413854

Frequently Asked Questions

What is the IUPAC name of 2-nonan-3-yl-4,5-dihydroimidazol-1-amine?
The IUPAC name of 2-nonan-3-yl-4,5-dihydroimidazol-1-amine (CID 174587936) is 2-nonan-3-yl-4,5-dihydroimidazol-1-amine.
What is the SMILES notation for 2-nonan-3-yl-4,5-dihydroimidazol-1-amine?
The canonical SMILES for 2-nonan-3-yl-4,5-dihydroimidazol-1-amine is CCCCCCC(CC)C1=NCCN1N.
What is the InChIKey of 2-nonan-3-yl-4,5-dihydroimidazol-1-amine?
The InChIKey is PLJRFIHFOSIHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-3-5-6-7-8-11(4-2)12-14-9-10-15(12)13/h11H,3-10,13H2,1-2H3.
What are the key properties of 2-nonan-3-yl-4,5-dihydroimidazol-1-amine?
2-nonan-3-yl-4,5-dihydroimidazol-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nonan-3-yl-4,5-dihydroimidazol-1-amine is sourced from PubChem (CID 174587936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).