1-pentylimidazol-2-amine

C8H15N3 — CID 61354351

IUPAC1-pentylimidazol-2-amine
SMILESCCCCCn1ccnc1N
InChIInChI=1S/C8H15N3/c1-2-3-4-6-11-7-5-10-8(11)9/h5,7H,2-4,6H2,1H3,(H2,9,10)
InChIKeyBZGNBEDZZHYWHI-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.66
Rot. Bonds4

About 1-pentylimidazol-2-amine

1-pentylimidazol-2-amine (PubChem CID 61354351) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1-pentylimidazol-2-amine.

Molecular Properties

Compound Name1-pentylimidazol-2-amine
PubChem CID61354351
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1-pentylimidazol-2-amine
SMILESCCCCCn1ccnc1N
InChIInChI=1S/C8H15N3/c1-2-3-4-6-11-7-5-10-8(11)9/h5,7H,2-4,6H2,1H3,(H2,9,10)
InChIKeyBZGNBEDZZHYWHI-UHFFFAOYSA-N
XLogP1.66
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.66
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-butylimidazol-2-amine
CID 60860613
1-dodecyl-2-ethylimidazole;hydrobromide
CID 175123705
1-dodecyl-2-ethylimidazole;hydrochloride
CID 70439493
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octylimidazole;hydrate
CID 174602652
1-dodecyl-N-methylimidazol-2-amine
CID 57016020
4-(2-aminoimidazol-1-yl)butanal
CID 55253480
1,2-di(pentadecyl)imidazole
CID 69388452
2-(chloromethyl)-1-pentylimidazole;hydrochloride
CID 22938760
2-methyl-1-octadec-9-enylimidazole
CID 54514402
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
2-amino-5-(2-aminoimidazol-1-yl)pentanoic acid
CID 91253396

Frequently Asked Questions

What is the IUPAC name of 1-pentylimidazol-2-amine?
The IUPAC name of 1-pentylimidazol-2-amine (CID 61354351) is 1-pentylimidazol-2-amine.
What is the SMILES notation for 1-pentylimidazol-2-amine?
The canonical SMILES for 1-pentylimidazol-2-amine is CCCCCn1ccnc1N.
What is the InChIKey of 1-pentylimidazol-2-amine?
The InChIKey is BZGNBEDZZHYWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-2-3-4-6-11-7-5-10-8(11)9/h5,7H,2-4,6H2,1H3,(H2,9,10).
What are the key properties of 1-pentylimidazol-2-amine?
1-pentylimidazol-2-amine has a molecular weight of 153.23 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentylimidazol-2-amine is sourced from PubChem (CID 61354351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).