acetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine

C20H30N2 — CID 142583808

IUPACacetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine
SMILESC#C.C=C/C(=C/C)C(C=C(C)N)=CC/C(=C/C)N(C)C(=C)C
InChIInChI=1S/C18H28N2.C2H2/c1-8-16(9-2)17(13-15(6)19)11-12-18(10-3)20(7)14(4)5;1-2/h8-11,13H,1,4,12,19H2,2-3,5-7H3;1-2H/b15-13+,16-9-,17-11-,18-10-;
InChIKeyZLYHDSMVHQISAH-FZVUHPFLSA-N
MW298.47 g/mol
LogP4.92
Rot. Bonds7

About acetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine

acetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine (PubChem CID 142583808) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is acetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine.

Molecular Properties

Compound Nameacetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine
PubChem CID142583808
Molecular FormulaC20H30N2
Molecular Weight298.47 g/mol
Exact Mass298.24
IUPAC Nameacetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine
SMILESC#C.C=C/C(=C/C)C(C=C(C)N)=CC/C(=C/C)N(C)C(=C)C
InChIInChI=1S/C18H28N2.C2H2/c1-8-16(9-2)17(13-15(6)19)11-12-18(10-3)20(7)14(4)5;1-2/h8-11,13H,1,4,12,19H2,2-3,5-7H3;1-2H/b15-13+,16-9-,17-11-,18-10-;
InChIKeyZLYHDSMVHQISAH-FZVUHPFLSA-N
XLogP4.92
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.47
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze acetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine with MolForge

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Related Compounds

ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
(3E,6E)-6-fluoro-4-methyl-N-prop-1-en-2-ylocta-1,3,6-trien-3-amine
CID 142817615
(3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene
CID 166713721
1-[(3E,6E)-6-ethenyl-5-ethylidene-2-methylocta-1,3,6-trien-3-yl]-1-fluorocyclopropane
CID 143763324
(3Z,5E)-5-chloro-3-ethenylhepta-1,3,5-trien-2-amine
CID 144617687
ethene;(2E,4E)-4-ethenylhexa-2,4-dien-2-amine
CID 142131627
(3Z,5E)-N-[(3E)-3-ethenylpenta-1,3-dien-2-yl]-N,6-dimethyl-4-[(3Z)-2-methylpenta-1,3-dien-3-yl]nona-1,3,5,8-tetraen-2-amine
CID 139468667
(2E,4Z,7Z,9Z)-7-ethenyl-N,10-dimethyl-9-(2-methylprop-1-enyl)-4-[(3Z)-penta-1,3-dien-3-yl]dodeca-2,4,7,9-tetraen-11-yn-2-amine
CID 142584841
(3Z)-penta-1,3-diene-2,4-diamine;propane
CID 144731148
1-methyl-1-prop-1-en-2-ylthiourea
CID 163692831
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525

Frequently Asked Questions

What is the IUPAC name of acetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine?
The IUPAC name of acetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine (CID 142583808) is acetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine.
What is the SMILES notation for acetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine?
The canonical SMILES for acetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine is C#C.C=C/C(=C/C)C(C=C(C)N)=CC/C(=C/C)N(C)C(=C)C.
What is the InChIKey of acetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine?
The InChIKey is ZLYHDSMVHQISAH-FZVUHPFLSA-N. The full InChI is InChI=1S/C18H28N2.C2H2/c1-8-16(9-2)17(13-15(6)19)11-12-18(10-3)20(7)14(4)5;1-2/h8-11,13H,1,4,12,19H2,2-3,5-7H3;1-2H/b15-13+,16-9-,17-11-,18-10-;.
What are the key properties of acetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine?
acetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine has a molecular weight of 298.47 g/mol, XLogP of 4.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;(2E,4Z,7Z)-7-N-methyl-4-[(3Z)-penta-1,3-dien-3-yl]-7-N-prop-1-en-2-ylnona-2,4,7-triene-2,7-diamine is sourced from PubChem (CID 142583808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).