N-[(E)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine

C11H20N2 — CID 134870865

IUPACN-[(E)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine
SMILESCC(C)=CC/C=C(C)\C=N\N(C)C
InChIInChI=1S/C11H20N2/c1-10(2)7-6-8-11(3)9-12-13(4)5/h7-9H,6H2,1-5H3/b11-8-,12-9+
InChIKeyHSGCFIMYZURQIG-QABOREQESA-N
MW180.29 g/mol
LogP2.84
Rot. Bonds4

About N-[(E)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine

N-[(E)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine (PubChem CID 134870865) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-[(E)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine
PubChem CID134870865
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-[(E)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine
SMILESCC(C)=CC/C=C(C)\C=N\N(C)C
InChIInChI=1S/C11H20N2/c1-10(2)7-6-8-11(3)9-12-13(4)5/h7-9H,6H2,1-5H3/b11-8-,12-9+
InChIKeyHSGCFIMYZURQIG-QABOREQESA-N
XLogP2.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.84
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)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine (CID 134870865) is N-[(E)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine is CC(C)=CC/C=C(C)\C=N\N(C)C.
What is the InChIKey of N-[(E)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine?
The InChIKey is HSGCFIMYZURQIG-QABOREQESA-N. The full InChI is InChI=1S/C11H20N2/c1-10(2)7-6-8-11(3)9-12-13(4)5/h7-9H,6H2,1-5H3/b11-8-,12-9+.
What are the key properties of N-[(E)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine?
N-[(E)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine has a molecular weight of 180.29 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 134870865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).