N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine

C12H22N2 — CID 14087971

IUPACN-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine
SMILESCC(C)=CCC/C(C)=C/C=N/N(C)C
InChIInChI=1S/C12H22N2/c1-11(2)7-6-8-12(3)9-10-13-14(4)5/h7,9-10H,6,8H2,1-5H3/b12-9+,13-10+
InChIKeyKETSZJCVZQBXFI-JOWSBRCASA-N
MW194.32 g/mol
LogP3.23
Rot. Bonds5

About N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine

N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine (PubChem CID 14087971) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine
PubChem CID14087971
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine
SMILESCC(C)=CCC/C(C)=C/C=N/N(C)C
InChIInChI=1S/C12H22N2/c1-11(2)7-6-8-12(3)9-10-13-14(4)5/h7,9-10H,6,8H2,1-5H3/b12-9+,13-10+
InChIKeyKETSZJCVZQBXFI-JOWSBRCASA-N
XLogP3.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.23
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine (CID 14087971) is N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine is CC(C)=CCC/C(C)=C/C=N/N(C)C.
What is the InChIKey of N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine?
The InChIKey is KETSZJCVZQBXFI-JOWSBRCASA-N. The full InChI is InChI=1S/C12H22N2/c1-11(2)7-6-8-12(3)9-10-13-14(4)5/h7,9-10H,6,8H2,1-5H3/b12-9+,13-10+.
What are the key properties of N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine?
N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine has a molecular weight of 194.32 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 14087971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).