7-(1,2-dihydroimidazol-3-yl)heptan-1-amine

C10H21N3 — CID 126584343

IUPAC7-(1,2-dihydroimidazol-3-yl)heptan-1-amine
SMILESNCCCCCCCN1C=CNC1
InChIInChI=1S/C10H21N3/c11-6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9,12H,1-6,8,10-11H2
InChIKeySJEQRJMKNPZPIY-UHFFFAOYSA-N
MW183.30 g/mol
LogP1.23
Rot. Bonds7

About 7-(1,2-dihydroimidazol-3-yl)heptan-1-amine

7-(1,2-dihydroimidazol-3-yl)heptan-1-amine (PubChem CID 126584343) has the molecular formula C10H21N3 and a molecular weight of 183.30 g/mol. Its IUPAC name is 7-(1,2-dihydroimidazol-3-yl)heptan-1-amine.

Molecular Properties

Compound Name7-(1,2-dihydroimidazol-3-yl)heptan-1-amine
PubChem CID126584343
Molecular FormulaC10H21N3
Molecular Weight183.30 g/mol
Exact Mass183.17
IUPAC Name7-(1,2-dihydroimidazol-3-yl)heptan-1-amine
SMILESNCCCCCCCN1C=CNC1
InChIInChI=1S/C10H21N3/c11-6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9,12H,1-6,8,10-11H2
InChIKeySJEQRJMKNPZPIY-UHFFFAOYSA-N
XLogP1.23
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 7-(1,2-dihydroimidazol-3-yl)heptan-1-amine?
The IUPAC name of 7-(1,2-dihydroimidazol-3-yl)heptan-1-amine (CID 126584343) is 7-(1,2-dihydroimidazol-3-yl)heptan-1-amine.
What is the SMILES notation for 7-(1,2-dihydroimidazol-3-yl)heptan-1-amine?
The canonical SMILES for 7-(1,2-dihydroimidazol-3-yl)heptan-1-amine is NCCCCCCCN1C=CNC1.
What is the InChIKey of 7-(1,2-dihydroimidazol-3-yl)heptan-1-amine?
The InChIKey is SJEQRJMKNPZPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3/c11-6-4-2-1-3-5-8-13-9-7-12-10-13/h7,9,12H,1-6,8,10-11H2.
What are the key properties of 7-(1,2-dihydroimidazol-3-yl)heptan-1-amine?
7-(1,2-dihydroimidazol-3-yl)heptan-1-amine has a molecular weight of 183.30 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1,2-dihydroimidazol-3-yl)heptan-1-amine is sourced from PubChem (CID 126584343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).