(4Z,6Z)-4-methanimidoyl-N,6-dimethylocta-4,6-dien-1-amine

C11H20N2 — CID 167135277

IUPAC(4Z,6Z)-4-methanimidoyl-N,6-dimethylocta-4,6-dien-1-amine
SMILES[H]/N=C/C(=C\C(C)=C/C)CCCNC
InChIInChI=1S/C11H20N2/c1-4-10(2)8-11(9-12)6-5-7-13-3/h4,8-9,12-13H,5-7H2,1-3H3/b10-4-,11-8-,12-9+
InChIKeyXYRAVOYKFQXACZ-VTDWBNQHSA-N
MW180.29 g/mol
LogP2.53
Rot. Bonds6

About (4Z,6Z)-4-methanimidoyl-N,6-dimethylocta-4,6-dien-1-amine

(4Z,6Z)-4-methanimidoyl-N,6-dimethylocta-4,6-dien-1-amine (PubChem CID 167135277) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (4Z,6Z)-4-methanimidoyl-N,6-dimethylocta-4,6-dien-1-amine.

Molecular Properties

Compound Name(4Z,6Z)-4-methanimidoyl-N,6-dimethylocta-4,6-dien-1-amine
PubChem CID167135277
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(4Z,6Z)-4-methanimidoyl-N,6-dimethylocta-4,6-dien-1-amine
SMILES[H]/N=C/C(=C\C(C)=C/C)CCCNC
InChIInChI=1S/C11H20N2/c1-4-10(2)8-11(9-12)6-5-7-13-3/h4,8-9,12-13H,5-7H2,1-3H3/b10-4-,11-8-,12-9+
InChIKeyXYRAVOYKFQXACZ-VTDWBNQHSA-N
XLogP2.53
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.53
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4Z,6Z)-4-methanimidoyl-N,6-dimethylocta-4,6-dien-1-amine?
The IUPAC name of (4Z,6Z)-4-methanimidoyl-N,6-dimethylocta-4,6-dien-1-amine (CID 167135277) is (4Z,6Z)-4-methanimidoyl-N,6-dimethylocta-4,6-dien-1-amine.
What is the SMILES notation for (4Z,6Z)-4-methanimidoyl-N,6-dimethylocta-4,6-dien-1-amine?
The canonical SMILES for (4Z,6Z)-4-methanimidoyl-N,6-dimethylocta-4,6-dien-1-amine is [H]/N=C/C(=C\C(C)=C/C)CCCNC.
What is the InChIKey of (4Z,6Z)-4-methanimidoyl-N,6-dimethylocta-4,6-dien-1-amine?
The InChIKey is XYRAVOYKFQXACZ-VTDWBNQHSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-10(2)8-11(9-12)6-5-7-13-3/h4,8-9,12-13H,5-7H2,1-3H3/b10-4-,11-8-,12-9+.
What are the key properties of (4Z,6Z)-4-methanimidoyl-N,6-dimethylocta-4,6-dien-1-amine?
(4Z,6Z)-4-methanimidoyl-N,6-dimethylocta-4,6-dien-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-4-methanimidoyl-N,6-dimethylocta-4,6-dien-1-amine is sourced from PubChem (CID 167135277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).