N-methyl-N-[(E)-[(3E,5Z)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine

C12H20N2 — CID 14249731

IUPACN-methyl-N-[(E)-[(3E,5Z)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine
SMILESC=CCC(/C=C/C=C\C)/C=N/N(C)C
InChIInChI=1S/C12H20N2/c1-5-7-8-10-12(9-6-2)11-13-14(3)4/h5-8,10-12H,2,9H2,1,3-4H3/b7-5-,10-8+,13-11+
InChIKeyKAOOVKLXOKSYFL-YAMDYLNVSA-N
MW192.31 g/mol
LogP2.86
Rot. Bonds6

About N-methyl-N-[(E)-[(3E,5Z)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine

N-methyl-N-[(E)-[(3E,5Z)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine (PubChem CID 14249731) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-methyl-N-[(E)-[(3E,5Z)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-[(3E,5Z)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine
PubChem CID14249731
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-methyl-N-[(E)-[(3E,5Z)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine
SMILESC=CCC(/C=C/C=C\C)/C=N/N(C)C
InChIInChI=1S/C12H20N2/c1-5-7-8-10-12(9-6-2)11-13-14(3)4/h5-8,10-12H,2,9H2,1,3-4H3/b7-5-,10-8+,13-11+
InChIKeyKAOOVKLXOKSYFL-YAMDYLNVSA-N
XLogP2.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.86
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'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-[(3E,5Z)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine?
The IUPAC name of N-methyl-N-[(E)-[(3E,5Z)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine (CID 14249731) is N-methyl-N-[(E)-[(3E,5Z)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-[(3E,5Z)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-[(3E,5Z)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine is C=CCC(/C=C/C=C\C)/C=N/N(C)C.
What is the InChIKey of N-methyl-N-[(E)-[(3E,5Z)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine?
The InChIKey is KAOOVKLXOKSYFL-YAMDYLNVSA-N. The full InChI is InChI=1S/C12H20N2/c1-5-7-8-10-12(9-6-2)11-13-14(3)4/h5-8,10-12H,2,9H2,1,3-4H3/b7-5-,10-8+,13-11+.
What are the key properties of N-methyl-N-[(E)-[(3E,5Z)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine?
N-methyl-N-[(E)-[(3E,5Z)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine has a molecular weight of 192.31 g/mol, XLogP of 2.86, 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)-[(3E,5Z)-2-prop-2-enylhepta-3,5-dienylidene]amino]methanamine is sourced from PubChem (CID 14249731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).