(2-pentyl-4,5-dihydroimidazol-1-yl)methanamine

C9H19N3 — CID 69018271

IUPAC(2-pentyl-4,5-dihydroimidazol-1-yl)methanamine
SMILESCCCCCC1=NCCN1CN
InChIInChI=1S/C9H19N3/c1-2-3-4-5-9-11-6-7-12(9)8-10/h2-8,10H2,1H3
InChIKeyONWAVQYYCUXZKA-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.20
Rot. Bonds5

About (2-pentyl-4,5-dihydroimidazol-1-yl)methanamine

(2-pentyl-4,5-dihydroimidazol-1-yl)methanamine (PubChem CID 69018271) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (2-pentyl-4,5-dihydroimidazol-1-yl)methanamine.

Molecular Properties

Compound Name(2-pentyl-4,5-dihydroimidazol-1-yl)methanamine
PubChem CID69018271
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(2-pentyl-4,5-dihydroimidazol-1-yl)methanamine
SMILESCCCCCC1=NCCN1CN
InChIInChI=1S/C9H19N3/c1-2-3-4-5-9-11-6-7-12(9)8-10/h2-8,10H2,1H3
InChIKeyONWAVQYYCUXZKA-UHFFFAOYSA-N
XLogP1.20
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.20
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-pentyl-2-undecyl-4,5-dihydroimidazole
CID 67928425
2-butyl-1-ethyl-4,5-dihydroimidazole
CID 139748903
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)acetic acid
CID 57142783
N'-[2-(2-undecyl-4,5-dihydroimidazol-1-yl)ethyl]ethane-1,2-diamine
CID 3016399
2-(2-docosyl-4,5-dihydroimidazol-1-yl)ethanol
CID 67140518
2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanamine;octadecanoic acid
CID 70551983
2-[2-[(E)-heptadec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323520
2-(2-octadecyl-4,5-dihydroimidazol-1-yl)ethanol;hydrobromide
CID 122612770
ethanol;2-(2-heptadecyl-4,5-dihydroimidazol-1-yl)ethanol
CID 158671442
CID 90309566
CID 90309566
2-[2-[(E)-dec-5-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101322944
2-[2-[(E)-heptadec-4-enyl]-4,5-dihydroimidazol-1-yl]ethanamine
CID 101323519

Frequently Asked Questions

What is the IUPAC name of (2-pentyl-4,5-dihydroimidazol-1-yl)methanamine?
The IUPAC name of (2-pentyl-4,5-dihydroimidazol-1-yl)methanamine (CID 69018271) is (2-pentyl-4,5-dihydroimidazol-1-yl)methanamine.
What is the SMILES notation for (2-pentyl-4,5-dihydroimidazol-1-yl)methanamine?
The canonical SMILES for (2-pentyl-4,5-dihydroimidazol-1-yl)methanamine is CCCCCC1=NCCN1CN.
What is the InChIKey of (2-pentyl-4,5-dihydroimidazol-1-yl)methanamine?
The InChIKey is ONWAVQYYCUXZKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-2-3-4-5-9-11-6-7-12(9)8-10/h2-8,10H2,1H3.
What are the key properties of (2-pentyl-4,5-dihydroimidazol-1-yl)methanamine?
(2-pentyl-4,5-dihydroimidazol-1-yl)methanamine has a molecular weight of 169.27 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pentyl-4,5-dihydroimidazol-1-yl)methanamine is sourced from PubChem (CID 69018271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).