4-(1H-imidazol-5-yl)butan-1-amine

C7H13N3 — CID 13499360

IUPAC4-(1H-imidazol-5-yl)butan-1-amine
SMILESNCCCCc1cnc[nH]1
InChIInChI=1S/C7H13N3/c8-4-2-1-3-7-5-9-6-10-7/h5-6H,1-4,8H2,(H,9,10)
InChIKeyVJSUMPPMFYQOMP-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.69
Rot. Bonds4

About 4-(1H-imidazol-5-yl)butan-1-amine

4-(1H-imidazol-5-yl)butan-1-amine (PubChem CID 13499360) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 4-(1H-imidazol-5-yl)butan-1-amine.

Molecular Properties

Compound Name4-(1H-imidazol-5-yl)butan-1-amine
PubChem CID13499360
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name4-(1H-imidazol-5-yl)butan-1-amine
SMILESNCCCCc1cnc[nH]1
InChIInChI=1S/C7H13N3/c8-4-2-1-3-7-5-9-6-10-7/h5-6H,1-4,8H2,(H,9,10)
InChIKeyVJSUMPPMFYQOMP-UHFFFAOYSA-N
XLogP0.69
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

ethane-1,2-diamine;2-(1H-imidazol-5-yl)ethanamine
CID 174826915
2-(1H-imidazol-5-yl)ethanamine;dihydrofluoride
CID 67652425
(1S)-2-(1H-imidazol-5-yl)-1-tritioethanamine
CID 25239956
5-hexyl-1H-imidazole
CID 14225142
chloro hypochlorite;2-(1H-imidazol-5-yl)ethanamine
CID 67432919
5-[6-[6-(1H-imidazol-5-yl)hexoxy]hexyl]-1H-imidazole
CID 69024759
6-amino-N-[2-(1H-imidazol-5-yl)ethyl]hexanamide
CID 19065170
10-(1H-imidazol-5-yl)decane-1,1-diol
CID 150316207
3-(1H-imidazol-5-yl)-N-methylpropan-1-amine
CID 19776442
10-(1H-imidazol-5-yl)decan-2-one
CID 170211337
2-(1H-imidazol-5-yl)ethanamine;phenol
CID 67627701
5-(3-phenylpropyl)-1H-imidazole
CID 10035345

Frequently Asked Questions

What is the IUPAC name of 4-(1H-imidazol-5-yl)butan-1-amine?
The IUPAC name of 4-(1H-imidazol-5-yl)butan-1-amine (CID 13499360) is 4-(1H-imidazol-5-yl)butan-1-amine.
What is the SMILES notation for 4-(1H-imidazol-5-yl)butan-1-amine?
The canonical SMILES for 4-(1H-imidazol-5-yl)butan-1-amine is NCCCCc1cnc[nH]1.
What is the InChIKey of 4-(1H-imidazol-5-yl)butan-1-amine?
The InChIKey is VJSUMPPMFYQOMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c8-4-2-1-3-7-5-9-6-10-7/h5-6H,1-4,8H2,(H,9,10).
What are the key properties of 4-(1H-imidazol-5-yl)butan-1-amine?
4-(1H-imidazol-5-yl)butan-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-imidazol-5-yl)butan-1-amine is sourced from PubChem (CID 13499360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).