ethane;N-[(2E)-2-ethenylhepta-2,4-dienyl]methanimine;(3Z)-3-ethenylhexa-3,5-dien-1-amine

C20H34N2 — CID 142317481

IUPACethane;N-[(2E)-2-ethenylhepta-2,4-dienyl]methanimine;(3Z)-3-ethenylhexa-3,5-dien-1-amine
SMILESC=C/C(=C\C=CCC)CN=C.C=C/C=C(\C=C)CCN.CC
InChIInChI=1S/C10H15N.C8H13N.C2H6/c1-4-6-7-8-10(5-2)9-11-3;1-3-5-8(4-2)6-7-9;1-2/h5-8H,2-4,9H2,1H3;3-5H,1-2,6-7,9H2;1-2H3/b7-6?,10-8+;8-5+;
InChIKeyMLBGMAMYWSKONH-QJRUSYTRSA-N
MW302.51 g/mol
LogP5.43
Rot. Bonds9

About ethane;N-[(2E)-2-ethenylhepta-2,4-dienyl]methanimine;(3Z)-3-ethenylhexa-3,5-dien-1-amine

ethane;N-[(2E)-2-ethenylhepta-2,4-dienyl]methanimine;(3Z)-3-ethenylhexa-3,5-dien-1-amine (PubChem CID 142317481) has the molecular formula C20H34N2 and a molecular weight of 302.51 g/mol. Its IUPAC name is ethane;N-[(2E)-2-ethenylhepta-2,4-dienyl]methanimine;(3Z)-3-ethenylhexa-3,5-dien-1-amine.

Molecular Properties

Compound Nameethane;N-[(2E)-2-ethenylhepta-2,4-dienyl]methanimine;(3Z)-3-ethenylhexa-3,5-dien-1-amine
PubChem CID142317481
Molecular FormulaC20H34N2
Molecular Weight302.51 g/mol
Exact Mass302.27
IUPAC Nameethane;N-[(2E)-2-ethenylhepta-2,4-dienyl]methanimine;(3Z)-3-ethenylhexa-3,5-dien-1-amine
SMILESC=C/C(=C\C=CCC)CN=C.C=C/C=C(\C=C)CCN.CC
InChIInChI=1S/C10H15N.C8H13N.C2H6/c1-4-6-7-8-10(5-2)9-11-3;1-3-5-8(4-2)6-7-9;1-2/h5-8H,2-4,9H2,1H3;3-5H,1-2,6-7,9H2;1-2H3/b7-6?,10-8+;8-5+;
InChIKeyMLBGMAMYWSKONH-QJRUSYTRSA-N
XLogP5.43
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.51
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-Methylidene-5-[2-methyl-1-(methylideneamino)butylidene]nona-3,6-diene-1,9-diamine
CID 91266844
2-Butylidene-5-[1-(methylideneamino)ethylidene]nona-3,6-diene-1,9-diamine
CID 91291281
ethane;(3Z)-N-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine;pentan-1-amine
CID 143221976
ethane;(4Z,7Z)-5-ethenyl-2-methylnona-2,4,7-triene;(2E)-penta-2,4-dien-1-amine
CID 144467029
ethane;ethene;(4Z)-5-ethenyl-7-methylocta-4,7-dien-2-amine;2-methylidenebutan-1-amine
CID 144532084
(Z,2E,3Z)-2-ethylidene-3-[1-(methylideneamino)ethylidene]hex-4-en-1-amine
CID 144614866
ethane;(2E,5Z)-N,N,3,7-tetramethyl-4-methylideneocta-2,5,7-trien-1-amine;(2E,5Z)-N,3,7-trimethyl-4-methylideneocta-2,5,7-trien-1-amine
CID 145061563
(2E,4E)-1-(methylideneamino)-2-propan-2-ylhexa-2,4-dien-1-amine
CID 174365742
(E)-N'-methyl-2-[(2Z)-penta-2,4-dienyl]but-2-ene-1,4-diamine
CID 142114351
(2Z,4Z)-4-methyl-5-[(methylideneamino)methyl]hepta-2,4,6-trien-1-amine
CID 143597093
(2Z,4Z,6E,8E)-4-[(E)-but-2-enyl]-5-(methylideneamino)-6-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraen-1-amine
CID 163248349

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(2E)-2-ethenylhepta-2,4-dienyl]methanimine;(3Z)-3-ethenylhexa-3,5-dien-1-amine?
The IUPAC name of ethane;N-[(2E)-2-ethenylhepta-2,4-dienyl]methanimine;(3Z)-3-ethenylhexa-3,5-dien-1-amine (CID 142317481) is ethane;N-[(2E)-2-ethenylhepta-2,4-dienyl]methanimine;(3Z)-3-ethenylhexa-3,5-dien-1-amine.
What is the SMILES notation for ethane;N-[(2E)-2-ethenylhepta-2,4-dienyl]methanimine;(3Z)-3-ethenylhexa-3,5-dien-1-amine?
The canonical SMILES for ethane;N-[(2E)-2-ethenylhepta-2,4-dienyl]methanimine;(3Z)-3-ethenylhexa-3,5-dien-1-amine is C=C/C(=C\C=CCC)CN=C.C=C/C=C(\C=C)CCN.CC.
What is the InChIKey of ethane;N-[(2E)-2-ethenylhepta-2,4-dienyl]methanimine;(3Z)-3-ethenylhexa-3,5-dien-1-amine?
The InChIKey is MLBGMAMYWSKONH-QJRUSYTRSA-N. The full InChI is InChI=1S/C10H15N.C8H13N.C2H6/c1-4-6-7-8-10(5-2)9-11-3;1-3-5-8(4-2)6-7-9;1-2/h5-8H,2-4,9H2,1H3;3-5H,1-2,6-7,9H2;1-2H3/b7-6?,10-8+;8-5+;.
What are the key properties of ethane;N-[(2E)-2-ethenylhepta-2,4-dienyl]methanimine;(3Z)-3-ethenylhexa-3,5-dien-1-amine?
ethane;N-[(2E)-2-ethenylhepta-2,4-dienyl]methanimine;(3Z)-3-ethenylhexa-3,5-dien-1-amine has a molecular weight of 302.51 g/mol, XLogP of 5.43, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(2E)-2-ethenylhepta-2,4-dienyl]methanimine;(3Z)-3-ethenylhexa-3,5-dien-1-amine is sourced from PubChem (CID 142317481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).