3-iminononan-1-amine

C9H20N2 — CID 57244141

IUPAC3-iminononan-1-amine
SMILES[H]/N=C(\CCN)CCCCCC
InChIInChI=1S/C9H20N2/c1-2-3-4-5-6-9(11)7-8-10/h11H,2-8,10H2,1H3/b11-9-
InChIKeyZDUPLAHSALYIPY-LUAWRHEFSA-N
MW156.27 g/mol
LogP2.33
Rot. Bonds7

About 3-iminononan-1-amine

3-iminononan-1-amine (PubChem CID 57244141) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is 3-iminononan-1-amine.

Molecular Properties

Compound Name3-iminononan-1-amine
PubChem CID57244141
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Name3-iminononan-1-amine
SMILES[H]/N=C(\CCN)CCCCCC
InChIInChI=1S/C9H20N2/c1-2-3-4-5-6-9(11)7-8-10/h11H,2-8,10H2,1H3/b11-9-
InChIKeyZDUPLAHSALYIPY-LUAWRHEFSA-N
XLogP2.33
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 52.33
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 3-iminononan-1-amine?
The IUPAC name of 3-iminononan-1-amine (CID 57244141) is 3-iminononan-1-amine.
What is the SMILES notation for 3-iminononan-1-amine?
The canonical SMILES for 3-iminononan-1-amine is [H]/N=C(\CCN)CCCCCC.
What is the InChIKey of 3-iminononan-1-amine?
The InChIKey is ZDUPLAHSALYIPY-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H20N2/c1-2-3-4-5-6-9(11)7-8-10/h11H,2-8,10H2,1H3/b11-9-.
What are the key properties of 3-iminononan-1-amine?
3-iminononan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminononan-1-amine is sourced from PubChem (CID 57244141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).