3-iminonona-1,7,8-trien-4-amine

C9H14N2 — CID 90802406

IUPAC3-iminonona-1,7,8-trien-4-amine
SMILES[H]/N=C(\C=C)C(N)CCC=C=C
InChIInChI=1S/C9H14N2/c1-3-5-6-7-9(11)8(10)4-2/h4-5,9-10H,1-2,6-7,11H2/b10-8+
InChIKeyGZINFGJPZKZKMI-CSKARUKUSA-N
MW150.22 g/mol
LogP1.64
Rot. Bonds5

About 3-iminonona-1,7,8-trien-4-amine

3-iminonona-1,7,8-trien-4-amine (PubChem CID 90802406) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 3-iminonona-1,7,8-trien-4-amine.

Molecular Properties

Compound Name3-iminonona-1,7,8-trien-4-amine
PubChem CID90802406
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name3-iminonona-1,7,8-trien-4-amine
SMILES[H]/N=C(\C=C)C(N)CCC=C=C
InChIInChI=1S/C9H14N2/c1-3-5-6-7-9(11)8(10)4-2/h4-5,9-10H,1-2,6-7,11H2/b10-8+
InChIKeyGZINFGJPZKZKMI-CSKARUKUSA-N
XLogP1.64
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Iminohex-5-en-1-amine
CID 57035427
2-Iminocyclohex-3-en-1-amine
CID 91537045
2-Iminohex-5-en-3-amine
CID 123342184
5-Iminohept-6-en-2-amine
CID 123625298
5-Ethyliminoocta-6,7-dien-3-amine
CID 163904487

Frequently Asked Questions

What is the IUPAC name of 3-iminonona-1,7,8-trien-4-amine?
The IUPAC name of 3-iminonona-1,7,8-trien-4-amine (CID 90802406) is 3-iminonona-1,7,8-trien-4-amine.
What is the SMILES notation for 3-iminonona-1,7,8-trien-4-amine?
The canonical SMILES for 3-iminonona-1,7,8-trien-4-amine is [H]/N=C(\C=C)C(N)CCC=C=C.
What is the InChIKey of 3-iminonona-1,7,8-trien-4-amine?
The InChIKey is GZINFGJPZKZKMI-CSKARUKUSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-5-6-7-9(11)8(10)4-2/h4-5,9-10H,1-2,6-7,11H2/b10-8+.
What are the key properties of 3-iminonona-1,7,8-trien-4-amine?
3-iminonona-1,7,8-trien-4-amine has a molecular weight of 150.22 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iminonona-1,7,8-trien-4-amine is sourced from PubChem (CID 90802406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).