3,6-dimethyl-N-(5-methylhexa-2,5-dienyl)-N-(methylideneamino)oct-3-en-4-amine

C18H32N2 — CID 123932147

IUPAC3,6-dimethyl-N-(5-methylhexa-2,5-dienyl)-N-(methylideneamino)oct-3-en-4-amine
SMILESC=NN(CC=CCC(=C)C)C(CC(C)CC)=C(C)CC
InChIInChI=1S/C18H32N2/c1-8-16(5)14-18(17(6)9-2)20(19-7)13-11-10-12-15(3)4/h10-11,16H,3,7-9,12-14H2,1-2,4-6H3
InChIKeyIHTNGBSHRXDKJG-UHFFFAOYSA-N
MW276.47 g/mol
LogP5.55
Rot. Bonds10

About 3,6-dimethyl-N-(5-methylhexa-2,5-dienyl)-N-(methylideneamino)oct-3-en-4-amine

3,6-dimethyl-N-(5-methylhexa-2,5-dienyl)-N-(methylideneamino)oct-3-en-4-amine (PubChem CID 123932147) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 3,6-dimethyl-N-(5-methylhexa-2,5-dienyl)-N-(methylideneamino)oct-3-en-4-amine.

Molecular Properties

Compound Name3,6-dimethyl-N-(5-methylhexa-2,5-dienyl)-N-(methylideneamino)oct-3-en-4-amine
PubChem CID123932147
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name3,6-dimethyl-N-(5-methylhexa-2,5-dienyl)-N-(methylideneamino)oct-3-en-4-amine
SMILESC=NN(CC=CCC(=C)C)C(CC(C)CC)=C(C)CC
InChIInChI=1S/C18H32N2/c1-8-16(5)14-18(17(6)9-2)20(19-7)13-11-10-12-15(3)4/h10-11,16H,3,7-9,12-14H2,1-2,4-6H3
InChIKeyIHTNGBSHRXDKJG-UHFFFAOYSA-N
XLogP5.55
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3,6-dimethyl-N-(5-methylhexa-2,5-dienyl)-N-(methylideneamino)oct-3-en-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-N-(5-methylhexa-2,5-dienyl)-N-(methylideneamino)oct-3-en-4-amine?
The IUPAC name of 3,6-dimethyl-N-(5-methylhexa-2,5-dienyl)-N-(methylideneamino)oct-3-en-4-amine (CID 123932147) is 3,6-dimethyl-N-(5-methylhexa-2,5-dienyl)-N-(methylideneamino)oct-3-en-4-amine.
What is the SMILES notation for 3,6-dimethyl-N-(5-methylhexa-2,5-dienyl)-N-(methylideneamino)oct-3-en-4-amine?
The canonical SMILES for 3,6-dimethyl-N-(5-methylhexa-2,5-dienyl)-N-(methylideneamino)oct-3-en-4-amine is C=NN(CC=CCC(=C)C)C(CC(C)CC)=C(C)CC.
What is the InChIKey of 3,6-dimethyl-N-(5-methylhexa-2,5-dienyl)-N-(methylideneamino)oct-3-en-4-amine?
The InChIKey is IHTNGBSHRXDKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-8-16(5)14-18(17(6)9-2)20(19-7)13-11-10-12-15(3)4/h10-11,16H,3,7-9,12-14H2,1-2,4-6H3.
What are the key properties of 3,6-dimethyl-N-(5-methylhexa-2,5-dienyl)-N-(methylideneamino)oct-3-en-4-amine?
3,6-dimethyl-N-(5-methylhexa-2,5-dienyl)-N-(methylideneamino)oct-3-en-4-amine has a molecular weight of 276.47 g/mol, XLogP of 5.55, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-N-(5-methylhexa-2,5-dienyl)-N-(methylideneamino)oct-3-en-4-amine is sourced from PubChem (CID 123932147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).