N-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine

C13H22N2 — CID 11390132

IUPACN-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine
SMILESCCCCC#C/C=C(\C=N\N(C)C)CC
InChIInChI=1S/C13H22N2/c1-5-7-8-9-10-11-13(6-2)12-14-15(3)4/h11-12H,5-8H2,1-4H3/b13-11-,14-12+
InChIKeyGCPFVOBCOIOKNE-HEEUSZRZSA-N
MW206.33 g/mol
LogP3.06
Rot. Bonds5

About N-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine

N-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine (PubChem CID 11390132) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine.

Molecular Properties

Compound NameN-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine
PubChem CID11390132
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine
SMILESCCCCC#C/C=C(\C=N\N(C)C)CC
InChIInChI=1S/C13H22N2/c1-5-7-8-9-10-11-13(6-2)12-14-15(3)4/h11-12H,5-8H2,1-4H3/b13-11-,14-12+
InChIKeyGCPFVOBCOIOKNE-HEEUSZRZSA-N
XLogP3.06
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.06
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': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-cyclohexen-1-ylmethylideneamino]-N-methylmethanamine
CID 11400875
N-methyl-N-[(E)-[(Z)-2-prop-2-enylnon-2-en-4-ynylidene]amino]methanamine
CID 11160292
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-Methyl-2-pentenaldehyde diethylhydrazone
CID 566017
2-Pentenal, 2-methyl-, diethylhydrazone
CID 9602402
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)-[(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-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine?
The IUPAC name of N-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine (CID 11390132) is N-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine.
What is the SMILES notation for N-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine?
The canonical SMILES for N-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine is CCCCC#C/C=C(\C=N\N(C)C)CC.
What is the InChIKey of N-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine?
The InChIKey is GCPFVOBCOIOKNE-HEEUSZRZSA-N. The full InChI is InChI=1S/C13H22N2/c1-5-7-8-9-10-11-13(6-2)12-14-15(3)4/h11-12H,5-8H2,1-4H3/b13-11-,14-12+.
What are the key properties of N-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine?
N-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine has a molecular weight of 206.33 g/mol, XLogP of 3.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[(Z)-2-ethylnon-2-en-4-ynylidene]amino]-N-methylmethanamine is sourced from PubChem (CID 11390132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).