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

C9H17N3 — CID 11694543

IUPACN-ethyl-4-(1H-imidazol-5-yl)butan-1-amine
SMILESCCNCCCCc1cnc[nH]1
InChIInChI=1S/C9H17N3/c1-2-10-6-4-3-5-9-7-11-8-12-9/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyKIDYDIXDUYDRBZ-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.34
Rot. Bonds6

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

N-ethyl-4-(1H-imidazol-5-yl)butan-1-amine (PubChem CID 11694543) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is N-ethyl-4-(1H-imidazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(1H-imidazol-5-yl)butan-1-amine
PubChem CID11694543
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC NameN-ethyl-4-(1H-imidazol-5-yl)butan-1-amine
SMILESCCNCCCCc1cnc[nH]1
InChIInChI=1S/C9H17N3/c1-2-10-6-4-3-5-9-7-11-8-12-9/h7-8,10H,2-6H2,1H3,(H,11,12)
InChIKeyKIDYDIXDUYDRBZ-UHFFFAOYSA-N
XLogP1.34
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.34
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-ethyl-4-(1H-imidazol-5-yl)butan-1-amine?
The IUPAC name of N-ethyl-4-(1H-imidazol-5-yl)butan-1-amine (CID 11694543) is N-ethyl-4-(1H-imidazol-5-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-4-(1H-imidazol-5-yl)butan-1-amine?
The canonical SMILES for N-ethyl-4-(1H-imidazol-5-yl)butan-1-amine is CCNCCCCc1cnc[nH]1.
What is the InChIKey of N-ethyl-4-(1H-imidazol-5-yl)butan-1-amine?
The InChIKey is KIDYDIXDUYDRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-2-10-6-4-3-5-9-7-11-8-12-9/h7-8,10H,2-6H2,1H3,(H,11,12).
What are the key properties of N-ethyl-4-(1H-imidazol-5-yl)butan-1-amine?
N-ethyl-4-(1H-imidazol-5-yl)butan-1-amine has a molecular weight of 167.26 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(1H-imidazol-5-yl)butan-1-amine is sourced from PubChem (CID 11694543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).