(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine

C16H23N — CID 142171223

IUPAC(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine
SMILESC=CCC(=C)/C(C)=C/C(C#CCN(C)C)=C\C
InChIInChI=1S/C16H23N/c1-7-10-14(3)15(4)13-16(8-2)11-9-12-17(5)6/h7-8,13H,1,3,10,12H2,2,4-6H3/b15-13+,16-8-
InChIKeyZKKXROQLVOSVKN-JOHDTNNHSA-N
MW229.37 g/mol
LogP3.58
Rot. Bonds5

About (4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine

(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine (PubChem CID 142171223) has the molecular formula C16H23N and a molecular weight of 229.37 g/mol. Its IUPAC name is (4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine.

Molecular Properties

Compound Name(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine
PubChem CID142171223
Molecular FormulaC16H23N
Molecular Weight229.37 g/mol
Exact Mass229.18
IUPAC Name(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine
SMILESC=CCC(=C)/C(C)=C/C(C#CCN(C)C)=C\C
InChIInChI=1S/C16H23N/c1-7-10-14(3)15(4)13-16(8-2)11-9-12-17(5)6/h7-8,13H,1,3,10,12H2,2,4-6H3/b15-13+,16-8-
InChIKeyZKKXROQLVOSVKN-JOHDTNNHSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(4E,5Z)-N-benzyl-4-ethylidene-N,6-dimethylocta-5,7-dien-2-yn-1-amine
CID 145472908
(2E,3Z)-2-ethylidene-5-[ethyl(methyl)amino]-4-methylhexa-3,5-dienenitrile
CID 170720884
5-(dimethylamino)pent-3-yn-2-one
CID 129178345
(3E)-6-bromo-3-ethylidenehex-1-en-4-yne
CID 164549596
(4E,5Z)-4-ethylidene-N,6-dimethyl-N-[(2R)-1-phenylpropan-2-yl]octa-5,7-dien-2-yn-1-amine
CID 145472991
4-(dimethylamino)but-2-ynoic acid lithium hydride
CID 171035063
2-bromo-N-methyl-N-prop-2-enylprop-2-en-1-amine
CID 13113536
4,6-dimethylocta-1,4,6-triene
CID 123877249
6,7,8-trimethyl-4-methylidene-5-prop-1-en-2-ylnona-1,5,7-triene
CID 123495231
bis(N,N-dimethylmethanamine);2-methylprop-1-ene
CID 174752405
(4Z)-7-ethyl-4-ethylidenenona-1,6-diene
CID 59970612
N-ethyl-N-methylbut-3-enamide
CID 23466641

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine?
The IUPAC name of (4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine (CID 142171223) is (4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine.
What is the SMILES notation for (4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine?
The canonical SMILES for (4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine is C=CCC(=C)/C(C)=C/C(C#CCN(C)C)=C\C.
What is the InChIKey of (4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine?
The InChIKey is ZKKXROQLVOSVKN-JOHDTNNHSA-N. The full InChI is InChI=1S/C16H23N/c1-7-10-14(3)15(4)13-16(8-2)11-9-12-17(5)6/h7-8,13H,1,3,10,12H2,2,4-6H3/b15-13+,16-8-.
What are the key properties of (4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine?
(4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine has a molecular weight of 229.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-4-ethylidene-N,N,6-trimethyl-7-methylidenedeca-5,9-dien-2-yn-1-amine is sourced from PubChem (CID 142171223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).