N-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine

C14H22N2 — CID 11160292

IUPACN-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine
SMILESC=CCC(=C/C#CCCCC)/C=N/N(C)C
InChIInChI=1S/C14H22N2/c1-5-7-8-9-10-12-14(11-6-2)13-15-16(3)4/h6,12-13H,2,5,7-8,11H2,1,3-4H3/b14-12-,15-13+
InChIKeyKZDFUYRPJSOQPH-PMJBJKLVSA-N
MW218.34 g/mol
LogP3.23
Rot. Bonds6

About N-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine

N-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine (PubChem CID 11160292) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine.

Molecular Properties

Compound NameN-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine
PubChem CID11160292
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine
SMILESC=CCC(=C/C#CCCCC)/C=N/N(C)C
InChIInChI=1S/C14H22N2/c1-5-7-8-9-10-12-14(11-6-2)13-15-16(3)4/h6,12-13H,2,5,7-8,11H2,1,3-4H3/b14-12-,15-13+
InChIKeyKZDFUYRPJSOQPH-PMJBJKLVSA-N
XLogP3.23
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.23
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-cyclohexen-1-ylmethylideneamino]-N-methylmethanamine
CID 11400875
N-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine
CID 11390132
Ethylhexenal dimethylhydrazone
CID 129817052
N-[(E)-[(2Z)-2,6-dimethylhepta-2,5-dienylidene]amino]-N-methylmethanamine
CID 134870865
N-[(E)-[(Z)-3-butylnon-2-en-4-ynylidene]amino]-N-methylmethanamine
CID 135079077
N-[(E)-[(Z)-3-ethynylhept-2-enylidene]amino]-N-methylmethanamine
CID 135080051
2,6,10-Dodecatriene-1-imine, 3,7,11-trimethyl-1-(dimethylamino)-
CID 9602870
N-methyl-N-[(E)-[(E)-2-methyldec-2-enylidene]amino]methanamine
CID 24740809
N-methyl-N-[(E)-[(2E,4E)-2-methylundeca-2,4-dienylidene]amino]methanamine
CID 24740811
N-[(E)-[(2E,14E,16E)-16-(dimethylhydrazinylidene)hexadeca-2,14-dien-7,9-diynylidene]amino]-N-methylmethanamine
CID 177450859
N-methyl-N-[(E)-[(E)-2-methylpent-2-enylidene]amino]methanamine
CID 11521089
N-methyl-N-(2-methylpent-2-enylideneamino)methanamine
CID 54353971

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine?
The IUPAC name of N-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine (CID 11160292) is N-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine.
What is the SMILES notation for N-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine?
The canonical SMILES for N-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine is C=CCC(=C/C#CCCCC)/C=N/N(C)C.
What is the InChIKey of N-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine?
The InChIKey is KZDFUYRPJSOQPH-PMJBJKLVSA-N. The full InChI is InChI=1S/C14H22N2/c1-5-7-8-9-10-12-14(11-6-2)13-15-16(3)4/h6,12-13H,2,5,7-8,11H2,1,3-4H3/b14-12-,15-13+.
What are the key properties of N-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine?
N-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine has a molecular weight of 218.34 g/mol, XLogP of 3.23, 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)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine is sourced from PubChem (CID 11160292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).