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

C11H21N3 — CID 11622495

IUPACN-butyl-4-(1H-imidazol-5-yl)butan-1-amine
SMILESCCCCNCCCCc1cnc[nH]1
InChIInChI=1S/C11H21N3/c1-2-3-7-12-8-5-4-6-11-9-13-10-14-11/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyWXQZQMBHXNYUDM-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.12
Rot. Bonds8

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

N-butyl-4-(1H-imidazol-5-yl)butan-1-amine (PubChem CID 11622495) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-butyl-4-(1H-imidazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-butyl-4-(1H-imidazol-5-yl)butan-1-amine
PubChem CID11622495
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-butyl-4-(1H-imidazol-5-yl)butan-1-amine
SMILESCCCCNCCCCc1cnc[nH]1
InChIInChI=1S/C11H21N3/c1-2-3-7-12-8-5-4-6-11-9-13-10-14-11/h9-10,12H,2-8H2,1H3,(H,13,14)
InChIKeyWXQZQMBHXNYUDM-UHFFFAOYSA-N
XLogP2.12
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.12
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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Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(1H-imidazol-5-yl)butan-1-amine?
The IUPAC name of N-butyl-4-(1H-imidazol-5-yl)butan-1-amine (CID 11622495) is N-butyl-4-(1H-imidazol-5-yl)butan-1-amine.
What is the SMILES notation for N-butyl-4-(1H-imidazol-5-yl)butan-1-amine?
The canonical SMILES for N-butyl-4-(1H-imidazol-5-yl)butan-1-amine is CCCCNCCCCc1cnc[nH]1.
What is the InChIKey of N-butyl-4-(1H-imidazol-5-yl)butan-1-amine?
The InChIKey is WXQZQMBHXNYUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-3-7-12-8-5-4-6-11-9-13-10-14-11/h9-10,12H,2-8H2,1H3,(H,13,14).
What are the key properties of N-butyl-4-(1H-imidazol-5-yl)butan-1-amine?
N-butyl-4-(1H-imidazol-5-yl)butan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(1H-imidazol-5-yl)butan-1-amine is sourced from PubChem (CID 11622495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).