4-(4-propan-2-ylimidazol-1-yl)butan-1-amine

C10H19N3 — CID 96686959

IUPAC4-(4-propan-2-ylimidazol-1-yl)butan-1-amine
SMILESCC(C)c1cn(CCCCN)cn1
InChIInChI=1S/C10H19N3/c1-9(2)10-7-13(8-12-10)6-4-3-5-11/h7-9H,3-6,11H2,1-2H3
InChIKeyUFNDAGSZGQLWNR-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.75
Rot. Bonds5

About 4-(4-propan-2-ylimidazol-1-yl)butan-1-amine

4-(4-propan-2-ylimidazol-1-yl)butan-1-amine (PubChem CID 96686959) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-(4-propan-2-ylimidazol-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(4-propan-2-ylimidazol-1-yl)butan-1-amine
PubChem CID96686959
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name4-(4-propan-2-ylimidazol-1-yl)butan-1-amine
SMILESCC(C)c1cn(CCCCN)cn1
InChIInChI=1S/C10H19N3/c1-9(2)10-7-13(8-12-10)6-4-3-5-11/h7-9H,3-6,11H2,1-2H3
InChIKeyUFNDAGSZGQLWNR-UHFFFAOYSA-N
XLogP1.75
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.75
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

4-propan-2-yl-1-propylimidazole
CID 58213384
1-ethyl-4-propan-2-ylimidazole
CID 10057571
2-(4-propan-2-ylimidazol-1-yl)acetonitrile
CID 163393413
4-[4-(4-methoxyphenyl)imidazol-1-yl]butan-1-amine
CID 18694797
4-[(4-propan-2-ylimidazol-1-yl)methyl]benzoic acid
CID 82513530
4-[4-(3-methoxyphenyl)imidazol-1-yl]butan-1-amine
CID 18694790
2-[(4-propan-2-ylimidazol-1-yl)methyl]pyridine
CID 142663682
2-(4-iodoimidazol-1-yl)ethanamine
CID 58247266
(1-butylimidazol-4-yl)methanamine
CID 82467842
1-(1-octylimidazol-4-yl)propan-2-amine
CID 106721019
2-[1-(4-methoxybutyl)imidazol-4-yl]ethanamine
CID 104649116
4-(4-pyridin-3-ylimidazol-1-yl)butan-1-amine;trihydrochloride
CID 44604268

Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylimidazol-1-yl)butan-1-amine?
The IUPAC name of 4-(4-propan-2-ylimidazol-1-yl)butan-1-amine (CID 96686959) is 4-(4-propan-2-ylimidazol-1-yl)butan-1-amine.
What is the SMILES notation for 4-(4-propan-2-ylimidazol-1-yl)butan-1-amine?
The canonical SMILES for 4-(4-propan-2-ylimidazol-1-yl)butan-1-amine is CC(C)c1cn(CCCCN)cn1.
What is the InChIKey of 4-(4-propan-2-ylimidazol-1-yl)butan-1-amine?
The InChIKey is UFNDAGSZGQLWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-9(2)10-7-13(8-12-10)6-4-3-5-11/h7-9H,3-6,11H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylimidazol-1-yl)butan-1-amine?
4-(4-propan-2-ylimidazol-1-yl)butan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylimidazol-1-yl)butan-1-amine is sourced from PubChem (CID 96686959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).