N-methyl-N-[[(10Z,13Z)-nonadeca-10,13-dienylidene]amino]methanamine

C21H40N2 — CID 88939927

IUPACN-methyl-N-[[(10Z,13Z)-nonadeca-10,13-dienylidene]amino]methanamine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC=NN(C)C
InChIInChI=1S/C21H40N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)3/h8-9,11-12,21H,4-7,10,13-20H2,1-3H3/b9-8-,12-11-,22-21?
InChIKeyOZOKLNKDTXUBCZ-HVDXYJLDSA-N
MW320.56 g/mol
LogP6.74
Rot. Bonds16

About N-methyl-N-[[(10Z,13Z)-nonadeca-10,13-dienylidene]amino]methanamine

N-methyl-N-[[(10Z,13Z)-nonadeca-10,13-dienylidene]amino]methanamine (PubChem CID 88939927) has the molecular formula C21H40N2 and a molecular weight of 320.56 g/mol. Its IUPAC name is N-methyl-N-[[(10Z,13Z)-nonadeca-10,13-dienylidene]amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[[(10Z,13Z)-nonadeca-10,13-dienylidene]amino]methanamine
PubChem CID88939927
Molecular FormulaC21H40N2
Molecular Weight320.56 g/mol
Exact Mass320.32
IUPAC NameN-methyl-N-[[(10Z,13Z)-nonadeca-10,13-dienylidene]amino]methanamine
SMILESCCCCC/C=C\C/C=C\CCCCCCCCC=NN(C)C
InChIInChI=1S/C21H40N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)3/h8-9,11-12,21H,4-7,10,13-20H2,1-3H3/b9-8-,12-11-,22-21?
InChIKeyOZOKLNKDTXUBCZ-HVDXYJLDSA-N
XLogP6.74
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.56
LogP ≤ 56.74
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': '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-methyl-N-[[(10Z,13Z)-nonadeca-10,13-dienylidene]amino]methanamine?
The IUPAC name of N-methyl-N-[[(10Z,13Z)-nonadeca-10,13-dienylidene]amino]methanamine (CID 88939927) is N-methyl-N-[[(10Z,13Z)-nonadeca-10,13-dienylidene]amino]methanamine.
What is the SMILES notation for N-methyl-N-[[(10Z,13Z)-nonadeca-10,13-dienylidene]amino]methanamine?
The canonical SMILES for N-methyl-N-[[(10Z,13Z)-nonadeca-10,13-dienylidene]amino]methanamine is CCCCC/C=C\C/C=C\CCCCCCCCC=NN(C)C.
What is the InChIKey of N-methyl-N-[[(10Z,13Z)-nonadeca-10,13-dienylidene]amino]methanamine?
The InChIKey is OZOKLNKDTXUBCZ-HVDXYJLDSA-N. The full InChI is InChI=1S/C21H40N2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(2)3/h8-9,11-12,21H,4-7,10,13-20H2,1-3H3/b9-8-,12-11-,22-21?.
What are the key properties of N-methyl-N-[[(10Z,13Z)-nonadeca-10,13-dienylidene]amino]methanamine?
N-methyl-N-[[(10Z,13Z)-nonadeca-10,13-dienylidene]amino]methanamine has a molecular weight of 320.56 g/mol, XLogP of 6.74, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[(10Z,13Z)-nonadeca-10,13-dienylidene]amino]methanamine is sourced from PubChem (CID 88939927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).