1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine

C19H34N2 — CID 143359127

IUPAC1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine
SMILESC=CCCC(CC(=C)/C=C\C)C(C)NC(=C)NCC(C)C
InChIInChI=1S/C19H34N2/c1-8-10-12-19(13-16(5)11-9-2)17(6)21-18(7)20-14-15(3)4/h8-9,11,15,17,19-21H,1,5,7,10,12-14H2,2-4,6H3/b11-9-
InChIKeyXEQJDNJXWQZCSH-LUAWRHEFSA-N
MW290.50 g/mol
LogP4.79
Rot. Bonds12

About 1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine

1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine (PubChem CID 143359127) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is 1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine
PubChem CID143359127
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine
SMILESC=CCCC(CC(=C)/C=C\C)C(C)NC(=C)NCC(C)C
InChIInChI=1S/C19H34N2/c1-8-10-12-19(13-16(5)11-9-2)17(6)21-18(7)20-14-15(3)4/h8-9,11,15,17,19-21H,1,5,7,10,12-14H2,2-4,6H3/b11-9-
InChIKeyXEQJDNJXWQZCSH-LUAWRHEFSA-N
XLogP4.79
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-[(Z,5Z)-5-ethylideneoct-6-enyl]-1-N'-(4-fluoro-4-methylcyclohexyl)ethene-1,1-diamine
CID 154665788
4-hexan-2-yl-N-methyl-1,2,6,7-tetrahydroquinolin-2-amine
CID 70942676
4-butan-2-yl-N-[(4Z)-5-methylhepta-4,6-dien-2-yl]cyclohexa-1,3-dien-1-amine
CID 88957650
N'-[2-cyclohexa-2,4-dien-1-yl-4-[6-(cyclohex-2-en-1-ylamino)-1-methylcyclohexa-2,4-dien-1-yl]cyclohexa-1,3-dien-1-yl]-N-methylmethanediamine
CID 89395450
N-[[(4R)-4-[[[(2E,4Z)-hepta-2,4,6-trien-2-yl]amino]methyl]cyclohexen-1-yl]methyl]cyclohex-3-en-1-amine
CID 89569147
N"-[5-ethylidene-6-methyl-11-(3,3,4-trimethylcycloocta-1,5,7-trien-1-yl)dodeca-6,8-dien-2-yl]-N'-methylmethanetriamine
CID 91169767
N'-but-3-en-2-yl-N-(2-but-2-enyl-3-ethylhex-4-enyl)methanediamine
CID 123573653
N-butan-2-yl-3-ethyl-5,9-dimethyl-1,2,3,4,5,6,9,10-octahydroazecin-2-amine
CID 124034470
N'-[(Z)-2-[(E)-but-2-en-2-yl]-5,7-dimethyl-4-methylidenenon-7-enyl]-N-methylmethanediamine
CID 126514847
(1E)-1-N'-[1-[[3-[(Z)-but-2-en-2-yl]cyclohexyl]amino]propyl]-1-N,2,3-trimethylbuta-1,3-diene-1,1-diamine
CID 129269611
N-(4-butan-2-ylcyclohexa-1,3-dien-1-yl)-N',N',N",N"-tetramethylmethanetriamine
CID 130199244
(2S)-1-N-[(3E,5Z,9Z)-2-hex-5-en-2-yl-4,8-dimethyldodeca-3,5,9-trienyl]-1-N',1-N',5-N,2-tetramethylpentane-1,1,5-triamine
CID 134270335

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine?
The IUPAC name of 1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine (CID 143359127) is 1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine?
The canonical SMILES for 1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine is C=CCCC(CC(=C)/C=C\C)C(C)NC(=C)NCC(C)C.
What is the InChIKey of 1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine?
The InChIKey is XEQJDNJXWQZCSH-LUAWRHEFSA-N. The full InChI is InChI=1S/C19H34N2/c1-8-10-12-19(13-16(5)11-9-2)17(6)21-18(7)20-14-15(3)4/h8-9,11,15,17,19-21H,1,5,7,10,12-14H2,2-4,6H3/b11-9-.
What are the key properties of 1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine?
1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.79, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(Z)-3-but-3-enyl-5-methylideneoct-6-en-2-yl]-1-N-(2-methylpropyl)ethene-1,1-diamine is sourced from PubChem (CID 143359127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).