4-(1-methylimidazol-2-yl)butan-1-amine

C8H15N3 — CID 79762041

IUPAC4-(1-methylimidazol-2-yl)butan-1-amine
SMILESCn1ccnc1CCCCN
InChIInChI=1S/C8H15N3/c1-11-7-6-10-8(11)4-2-3-5-9/h6-7H,2-5,9H2,1H3
InChIKeyFBFXYZUNGIKEOA-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.70
Rot. Bonds4

About 4-(1-methylimidazol-2-yl)butan-1-amine

4-(1-methylimidazol-2-yl)butan-1-amine (PubChem CID 79762041) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)butan-1-amine.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)butan-1-amine
PubChem CID79762041
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name4-(1-methylimidazol-2-yl)butan-1-amine
SMILESCn1ccnc1CCCCN
InChIInChI=1S/C8H15N3/c1-11-7-6-10-8(11)4-2-3-5-9/h6-7H,2-5,9H2,1H3
InChIKeyFBFXYZUNGIKEOA-UHFFFAOYSA-N
XLogP0.70
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 ≤ 50.70
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-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434
N-methyl-4-(1-methylimidazol-2-yl)butan-1-amine
CID 79762044
alumane;2-hexyl-1-methylimidazole;tetrahydrochloride
CID 174887731
methanamine;1-methyl-2-propylimidazole
CID 164902083
2-(5-bromohexyl)-1-methylimidazole
CID 114532192
N'-methyl-N'-[2-(1-methylimidazol-2-yl)ethyl]ethane-1,2-diamine
CID 114525994
[1-[2-(1-methylimidazol-2-yl)ethyl]imidazol-2-yl]methanamine
CID 114528906
2-butyl-1-methylimidazole;fluoroform
CID 162050255
10-(1-methylimidazol-2-yl)decanoic acid
CID 69479217
azane;1-methyl-2-propylimidazole
CID 174525892

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)butan-1-amine?
The IUPAC name of 4-(1-methylimidazol-2-yl)butan-1-amine (CID 79762041) is 4-(1-methylimidazol-2-yl)butan-1-amine.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)butan-1-amine?
The canonical SMILES for 4-(1-methylimidazol-2-yl)butan-1-amine is Cn1ccnc1CCCCN.
What is the InChIKey of 4-(1-methylimidazol-2-yl)butan-1-amine?
The InChIKey is FBFXYZUNGIKEOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-11-7-6-10-8(11)4-2-3-5-9/h6-7H,2-5,9H2,1H3.
What are the key properties of 4-(1-methylimidazol-2-yl)butan-1-amine?
4-(1-methylimidazol-2-yl)butan-1-amine has a molecular weight of 153.23 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)butan-1-amine is sourced from PubChem (CID 79762041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).