5-(2-methylpropyl)-1-pentylimidazol-2-amine;hydrochloride

C12H24ClN3 — CID 56663227

IUPAC5-(2-methylpropyl)-1-pentylimidazol-2-amine;hydrochloride
SMILESCCCCCn1c(CC(C)C)cnc1N.Cl
InChIInChI=1S/C12H23N3.ClH/c1-4-5-6-7-15-11(8-10(2)3)9-14-12(15)13;/h9-10H,4-8H2,1-3H3,(H2,13,14);1H
InChIKeyFMPJSNYPOCTYFI-UHFFFAOYSA-N
MW245.80 g/mol
LogP3.28
Rot. Bonds6

About 5-(2-methylpropyl)-1-pentylimidazol-2-amine;hydrochloride

5-(2-methylpropyl)-1-pentylimidazol-2-amine;hydrochloride (PubChem CID 56663227) has the molecular formula C12H24ClN3 and a molecular weight of 245.80 g/mol. Its IUPAC name is 5-(2-methylpropyl)-1-pentylimidazol-2-amine;hydrochloride.

Molecular Properties

Compound Name5-(2-methylpropyl)-1-pentylimidazol-2-amine;hydrochloride
PubChem CID56663227
Molecular FormulaC12H24ClN3
Molecular Weight245.80 g/mol
Exact Mass245.17
IUPAC Name5-(2-methylpropyl)-1-pentylimidazol-2-amine;hydrochloride
SMILESCCCCCn1c(CC(C)C)cnc1N.Cl
InChIInChI=1S/C12H23N3.ClH/c1-4-5-6-7-15-11(8-10(2)3)9-14-12(15)13;/h9-10H,4-8H2,1-3H3,(H2,13,14);1H
InChIKeyFMPJSNYPOCTYFI-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.80
LogP ≤ 53.28
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

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Vuf 5207
CID 11672774
4-((1H-imidazol-4-yl)methyl)-1-heptylpiperidine
CID 44406484
(S)-4-(Pyrrolidin-3-ylmethyl)-1H-imidazole
CID 44367568
4-[2-(1H-Imidazol-4-yl)ethyl]piperidine
CID 10176370
4-(1H-imidazol-5-ylmethyl)-1-propan-2-ylpiperidine
CID 11210869
4-(1H-imidazol-5-yl)-N-propylbutan-1-amine
CID 11600779
4-(1H-imidazol-5-yl)-N-propan-2-ylbutan-1-amine
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CID 11622495

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-1-pentylimidazol-2-amine;hydrochloride?
The IUPAC name of 5-(2-methylpropyl)-1-pentylimidazol-2-amine;hydrochloride (CID 56663227) is 5-(2-methylpropyl)-1-pentylimidazol-2-amine;hydrochloride.
What is the SMILES notation for 5-(2-methylpropyl)-1-pentylimidazol-2-amine;hydrochloride?
The canonical SMILES for 5-(2-methylpropyl)-1-pentylimidazol-2-amine;hydrochloride is CCCCCn1c(CC(C)C)cnc1N.Cl.
What is the InChIKey of 5-(2-methylpropyl)-1-pentylimidazol-2-amine;hydrochloride?
The InChIKey is FMPJSNYPOCTYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3.ClH/c1-4-5-6-7-15-11(8-10(2)3)9-14-12(15)13;/h9-10H,4-8H2,1-3H3,(H2,13,14);1H.
What are the key properties of 5-(2-methylpropyl)-1-pentylimidazol-2-amine;hydrochloride?
5-(2-methylpropyl)-1-pentylimidazol-2-amine;hydrochloride has a molecular weight of 245.80 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-1-pentylimidazol-2-amine;hydrochloride is sourced from PubChem (CID 56663227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).