6-iminoheptan-1-amine

C7H16N2 — CID 54250278

IUPAC6-iminoheptan-1-amine
SMILES[H]/N=C(\C)CCCCCN
InChIInChI=1S/C7H16N2/c1-7(9)5-3-2-4-6-8/h9H,2-6,8H2,1H3/b9-7+
InChIKeyQWGMLGPMXRBJNF-VQHVLOKHSA-N
MW128.22 g/mol
LogP1.55
Rot. Bonds5

About 6-iminoheptan-1-amine

6-iminoheptan-1-amine (PubChem CID 54250278) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is 6-iminoheptan-1-amine.

Molecular Properties

Compound Name6-iminoheptan-1-amine
PubChem CID54250278
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name6-iminoheptan-1-amine
SMILES[H]/N=C(\C)CCCCCN
InChIInChI=1S/C7H16N2/c1-7(9)5-3-2-4-6-8/h9H,2-6,8H2,1H3/b9-7+
InChIKeyQWGMLGPMXRBJNF-VQHVLOKHSA-N
XLogP1.55
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-iminoheptan-1-amine?
The IUPAC name of 6-iminoheptan-1-amine (CID 54250278) is 6-iminoheptan-1-amine.
What is the SMILES notation for 6-iminoheptan-1-amine?
The canonical SMILES for 6-iminoheptan-1-amine is [H]/N=C(\C)CCCCCN.
What is the InChIKey of 6-iminoheptan-1-amine?
The InChIKey is QWGMLGPMXRBJNF-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H16N2/c1-7(9)5-3-2-4-6-8/h9H,2-6,8H2,1H3/b9-7+.
What are the key properties of 6-iminoheptan-1-amine?
6-iminoheptan-1-amine has a molecular weight of 128.22 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iminoheptan-1-amine is sourced from PubChem (CID 54250278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).