N-methyl-N-[(E)-[(2E,4E)-nona-2,4-dienylidene]amino]methanamine

C11H20N2 — CID 121218094

IUPACN-methyl-N-[(E)-[(2E,4E)-nona-2,4-dienylidene]amino]methanamine
SMILESCCCC/C=C/C=C/C=N/N(C)C
InChIInChI=1S/C11H20N2/c1-4-5-6-7-8-9-10-11-12-13(2)3/h7-11H,4-6H2,1-3H3/b8-7+,10-9+,12-11+
InChIKeyCIGVBUVRNMJLFU-SNUJAXHWSA-N
MW180.29 g/mol
LogP2.84
Rot. Bonds6

About N-methyl-N-[(E)-[(2E,4E)-nona-2,4-dienylidene]amino]methanamine

N-methyl-N-[(E)-[(2E,4E)-nona-2,4-dienylidene]amino]methanamine (PubChem CID 121218094) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-methyl-N-[(E)-[(2E,4E)-nona-2,4-dienylidene]amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-[(2E,4E)-nona-2,4-dienylidene]amino]methanamine
PubChem CID121218094
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-methyl-N-[(E)-[(2E,4E)-nona-2,4-dienylidene]amino]methanamine
SMILESCCCC/C=C/C=C/C=N/N(C)C
InChIInChI=1S/C11H20N2/c1-4-5-6-7-8-9-10-11-12-13(2)3/h7-11H,4-6H2,1-3H3/b8-7+,10-9+,12-11+
InChIKeyCIGVBUVRNMJLFU-SNUJAXHWSA-N
XLogP2.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-[(2E,4E)-nona-2,4-dienylidene]amino]methanamine?
The IUPAC name of N-methyl-N-[(E)-[(2E,4E)-nona-2,4-dienylidene]amino]methanamine (CID 121218094) is N-methyl-N-[(E)-[(2E,4E)-nona-2,4-dienylidene]amino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-[(2E,4E)-nona-2,4-dienylidene]amino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-[(2E,4E)-nona-2,4-dienylidene]amino]methanamine is CCCC/C=C/C=C/C=N/N(C)C.
What is the InChIKey of N-methyl-N-[(E)-[(2E,4E)-nona-2,4-dienylidene]amino]methanamine?
The InChIKey is CIGVBUVRNMJLFU-SNUJAXHWSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-5-6-7-8-9-10-11-12-13(2)3/h7-11H,4-6H2,1-3H3/b8-7+,10-9+,12-11+.
What are the key properties of N-methyl-N-[(E)-[(2E,4E)-nona-2,4-dienylidene]amino]methanamine?
N-methyl-N-[(E)-[(2E,4E)-nona-2,4-dienylidene]amino]methanamine has a molecular weight of 180.29 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(E)-[(2E,4E)-nona-2,4-dienylidene]amino]methanamine is sourced from PubChem (CID 121218094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).