N-[2-(1H-imidazol-5-yl)ethyl]heptan-1-amine

C12H23N3 — CID 14712099

IUPACN-[2-(1H-imidazol-5-yl)ethyl]heptan-1-amine
SMILESCCCCCCCNCCc1cnc[nH]1
InChIInChI=1S/C12H23N3/c1-2-3-4-5-6-8-13-9-7-12-10-14-11-15-12/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyHWACDIKQGYISSN-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.51
Rot. Bonds9

About N-[2-(1H-imidazol-5-yl)ethyl]heptan-1-amine

N-[2-(1H-imidazol-5-yl)ethyl]heptan-1-amine (PubChem CID 14712099) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]heptan-1-amine.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]heptan-1-amine
PubChem CID14712099
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]heptan-1-amine
SMILESCCCCCCCNCCc1cnc[nH]1
InChIInChI=1S/C12H23N3/c1-2-3-4-5-6-8-13-9-7-12-10-14-11-15-12/h10-11,13H,2-9H2,1H3,(H,14,15)
InChIKeyHWACDIKQGYISSN-UHFFFAOYSA-N
XLogP2.51
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.51
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-[2-(1H-imidazol-5-yl)ethyl]heptan-1-amine?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]heptan-1-amine (CID 14712099) is N-[2-(1H-imidazol-5-yl)ethyl]heptan-1-amine.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]heptan-1-amine?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]heptan-1-amine is CCCCCCCNCCc1cnc[nH]1.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]heptan-1-amine?
The InChIKey is HWACDIKQGYISSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-2-3-4-5-6-8-13-9-7-12-10-14-11-15-12/h10-11,13H,2-9H2,1H3,(H,14,15).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]heptan-1-amine?
N-[2-(1H-imidazol-5-yl)ethyl]heptan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]heptan-1-amine is sourced from PubChem (CID 14712099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).