(2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine

C28H50N2 — CID 6913048

IUPAC(2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCC/C(C)=C\CNCC1CCC(CNC/C=C(/C)CCC=C(C)C)CC1
InChIInChI=1S/C28H50N2/c1-23(2)9-7-11-25(5)17-19-29-21-27-13-15-28(16-14-27)22-30-20-18-26(6)12-8-10-24(3)4/h9-10,17-18,27-30H,7-8,11-16,19-22H2,1-6H3/b25-17-,26-18-
InChIKeyYZXSUPFBSFKOML-MFYXSQMNSA-N
MW414.72 g/mol
LogP7.36
Rot. Bonds14

About (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine

(2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine (PubChem CID 6913048) has the molecular formula C28H50N2 and a molecular weight of 414.72 g/mol. Its IUPAC name is (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine
PubChem CID6913048
Molecular FormulaC28H50N2
Molecular Weight414.72 g/mol
Exact Mass414.40
IUPAC Name(2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine
SMILESCC(C)=CCC/C(C)=C\CNCC1CCC(CNC/C=C(/C)CCC=C(C)C)CC1
InChIInChI=1S/C28H50N2/c1-23(2)9-7-11-25(5)17-19-29-21-27-13-15-28(16-14-27)22-30-20-18-26(6)12-8-10-24(3)4/h9-10,17-18,27-30H,7-8,11-16,19-22H2,1-6H3/b25-17-,26-18-
InChIKeyYZXSUPFBSFKOML-MFYXSQMNSA-N
XLogP7.36
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.72
LogP ≤ 57.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine?
The IUPAC name of (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine (CID 6913048) is (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine.
What is the SMILES notation for (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine?
The canonical SMILES for (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine is CC(C)=CCC/C(C)=C\CNCC1CCC(CNC/C=C(/C)CCC=C(C)C)CC1.
What is the InChIKey of (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine?
The InChIKey is YZXSUPFBSFKOML-MFYXSQMNSA-N. The full InChI is InChI=1S/C28H50N2/c1-23(2)9-7-11-25(5)17-19-29-21-27-13-15-28(16-14-27)22-30-20-18-26(6)12-8-10-24(3)4/h9-10,17-18,27-30H,7-8,11-16,19-22H2,1-6H3/b25-17-,26-18-.
What are the key properties of (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine?
(2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine has a molecular weight of 414.72 g/mol, XLogP of 7.36, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-[[4-[[[(2Z)-3,7-dimethylocta-2,6-dienyl]amino]methyl]cyclohexyl]methyl]-3,7-dimethylocta-2,6-dien-1-amine is sourced from PubChem (CID 6913048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).