4-[(Z)-3-(methylideneamino)non-2-en-2-yl]iminocyclohexa-1,5-dien-1-amine

C16H25N3 — CID 134312193

IUPAC4-[(Z)-3-(methylideneamino)non-2-en-2-yl]iminocyclohexa-1,5-dien-1-amine
SMILESC=N/C(CCCCCC)=C(C)\N=C1\C=CC(N)=CC1
InChIInChI=1S/C16H25N3/c1-4-5-6-7-8-16(18-3)13(2)19-15-11-9-14(17)10-12-15/h9-11H,3-8,12,17H2,1-2H3/b16-13-,19-15-
InChIKeyBMVCZXXDLYLUFF-BDLUJXIASA-N
MW259.40 g/mol
LogP4.13
Rot. Bonds7

About 4-[(Z)-3-(methylideneamino)non-2-en-2-yl]iminocyclohexa-1,5-dien-1-amine

4-[(Z)-3-(methylideneamino)non-2-en-2-yl]iminocyclohexa-1,5-dien-1-amine (PubChem CID 134312193) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 4-[(Z)-3-(methylideneamino)non-2-en-2-yl]iminocyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name4-[(Z)-3-(methylideneamino)non-2-en-2-yl]iminocyclohexa-1,5-dien-1-amine
PubChem CID134312193
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name4-[(Z)-3-(methylideneamino)non-2-en-2-yl]iminocyclohexa-1,5-dien-1-amine
SMILESC=N/C(CCCCCC)=C(C)\N=C1\C=CC(N)=CC1
InChIInChI=1S/C16H25N3/c1-4-5-6-7-8-16(18-3)13(2)19-15-11-9-14(17)10-12-15/h9-11H,3-8,12,17H2,1-2H3/b16-13-,19-15-
InChIKeyBMVCZXXDLYLUFF-BDLUJXIASA-N
XLogP4.13
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-[(Z)-3-(methylideneamino)non-2-en-2-yl]iminocyclohexa-1,5-dien-1-amine?
The IUPAC name of 4-[(Z)-3-(methylideneamino)non-2-en-2-yl]iminocyclohexa-1,5-dien-1-amine (CID 134312193) is 4-[(Z)-3-(methylideneamino)non-2-en-2-yl]iminocyclohexa-1,5-dien-1-amine.
What is the SMILES notation for 4-[(Z)-3-(methylideneamino)non-2-en-2-yl]iminocyclohexa-1,5-dien-1-amine?
The canonical SMILES for 4-[(Z)-3-(methylideneamino)non-2-en-2-yl]iminocyclohexa-1,5-dien-1-amine is C=N/C(CCCCCC)=C(C)\N=C1\C=CC(N)=CC1.
What is the InChIKey of 4-[(Z)-3-(methylideneamino)non-2-en-2-yl]iminocyclohexa-1,5-dien-1-amine?
The InChIKey is BMVCZXXDLYLUFF-BDLUJXIASA-N. The full InChI is InChI=1S/C16H25N3/c1-4-5-6-7-8-16(18-3)13(2)19-15-11-9-14(17)10-12-15/h9-11H,3-8,12,17H2,1-2H3/b16-13-,19-15-.
What are the key properties of 4-[(Z)-3-(methylideneamino)non-2-en-2-yl]iminocyclohexa-1,5-dien-1-amine?
4-[(Z)-3-(methylideneamino)non-2-en-2-yl]iminocyclohexa-1,5-dien-1-amine has a molecular weight of 259.40 g/mol, XLogP of 4.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-3-(methylideneamino)non-2-en-2-yl]iminocyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 134312193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).