(3Z)-4-N-ethyl-3-ethylidene-6-methyl-5-prop-1-en-2-yl-2-N-propylocta-1,7-diene-2,4-diamine

C19H34N2 — CID 118181213

IUPAC(3Z)-4-N-ethyl-3-ethylidene-6-methyl-5-prop-1-en-2-yl-2-N-propylocta-1,7-diene-2,4-diamine
SMILESC=CC(C)C(C(=C)C)C(NCC)/C(=C/C)C(=C)NCCC
InChIInChI=1S/C19H34N2/c1-9-13-21-16(8)17(11-3)19(20-12-4)18(14(5)6)15(7)10-2/h10-11,15,18-21H,2,5,8-9,12-13H2,1,3-4,6-7H3/b17-11+
InChIKeyZTSJUGQLNQCDRJ-GZTJUZNOSA-N
MW290.50 g/mol
LogP4.44
Rot. Bonds11

About (3Z)-4-N-ethyl-3-ethylidene-6-methyl-5-prop-1-en-2-yl-2-N-propylocta-1,7-diene-2,4-diamine

(3Z)-4-N-ethyl-3-ethylidene-6-methyl-5-prop-1-en-2-yl-2-N-propylocta-1,7-diene-2,4-diamine (PubChem CID 118181213) has the molecular formula C19H34N2 and a molecular weight of 290.50 g/mol. Its IUPAC name is (3Z)-4-N-ethyl-3-ethylidene-6-methyl-5-prop-1-en-2-yl-2-N-propylocta-1,7-diene-2,4-diamine.

Molecular Properties

Compound Name(3Z)-4-N-ethyl-3-ethylidene-6-methyl-5-prop-1-en-2-yl-2-N-propylocta-1,7-diene-2,4-diamine
PubChem CID118181213
Molecular FormulaC19H34N2
Molecular Weight290.50 g/mol
Exact Mass290.27
IUPAC Name(3Z)-4-N-ethyl-3-ethylidene-6-methyl-5-prop-1-en-2-yl-2-N-propylocta-1,7-diene-2,4-diamine
SMILESC=CC(C)C(C(=C)C)C(NCC)/C(=C/C)C(=C)NCCC
InChIInChI=1S/C19H34N2/c1-9-13-21-16(8)17(11-3)19(20-12-4)18(14(5)6)15(7)10-2/h10-11,15,18-21H,2,5,8-9,12-13H2,1,3-4,6-7H3/b17-11+
InChIKeyZTSJUGQLNQCDRJ-GZTJUZNOSA-N
XLogP4.44
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.50
LogP ≤ 54.44
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

(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
N-[(5Z,6E)-3-[(E)-6-amino-6-fluoro-5-methylhex-5-en-3-yl]-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
CID 89085395
3-N-[(3E,5E,6E)-5-[(Z)-but-2-enylidene]-10-fluoro-4,10-dimethylundeca-1,3,6-trien-2-yl]-1-N-ethenyl-2-ethylbut-3-ene-1,3-diamine
CID 130285114
6-(1-aminopropyl)-N-[(6Z,10Z)-12-fluoro-4,10-dimethyl-9-propan-2-ylidenedodeca-6,10-dien-4-yl]cyclohepta-1,3,4,6-tetraen-1-amine
CID 134478957
(5Z,7Z)-9-chloro-1-N-[(3E,5E)-5-chloroocta-1,3,5,7-tetraen-3-yl]-3-N-cyclohexyl-5-fluoro-3-N-methyl-4-propan-2-yldeca-5,7,9-triene-1,3-diamine
CID 138646970
(7E)-6-ethyl-8-[(1E,4E)-3-ethyl-5-methylocta-1,4-dienyl]-7-(1-fluoroethenyl)-1,2,3,4,5,6-hexahydroazocine
CID 139423605
N-[1-[4-[(E)-but-2-en-2-yl]cyclohexa-1,3-dien-1-yl]ethenyl]-2-ethyl-4-fluoro-4-methylpentan-1-amine
CID 146578963
3-fluoro-4-N,3-bis(2-methylpropyl)cyclohexa-1,5-diene-1,4-diamine
CID 152025024
4-[(2S)-3-butyl-2-methyl-1,2-dihydropyridin-6-yl]-N-[2-[2-(2-fluoropent-4-enyl)cyclopropyl]ethyl]butan-1-amine
CID 155204879
(4E,5Z)-4-ethylidene-3-N-[1-(3-fluoro-3-methylcyclobutyl)ethenyl]-1-N-methyl-1-N-(4-methylpent-1-en-2-yl)octa-5,7-diene-1,3-diamine
CID 165397845
N-[1-[5-[(1E)-2-fluorobuta-1,3-dienyl]-1,2,6-trimethyl-3,4-dihydro-2H-pyridin-3-yl]ethenyl]-2-methylpentan-3-amine
CID 166894940
(3S,5S,7Z,9E)-1-N-ethyl-9-fluoro-5-methyl-6-methylidene-3-N-propan-2-ylundeca-7,9-diene-1,3-diamine
CID 169644117

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-N-ethyl-3-ethylidene-6-methyl-5-prop-1-en-2-yl-2-N-propylocta-1,7-diene-2,4-diamine?
The IUPAC name of (3Z)-4-N-ethyl-3-ethylidene-6-methyl-5-prop-1-en-2-yl-2-N-propylocta-1,7-diene-2,4-diamine (CID 118181213) is (3Z)-4-N-ethyl-3-ethylidene-6-methyl-5-prop-1-en-2-yl-2-N-propylocta-1,7-diene-2,4-diamine.
What is the SMILES notation for (3Z)-4-N-ethyl-3-ethylidene-6-methyl-5-prop-1-en-2-yl-2-N-propylocta-1,7-diene-2,4-diamine?
The canonical SMILES for (3Z)-4-N-ethyl-3-ethylidene-6-methyl-5-prop-1-en-2-yl-2-N-propylocta-1,7-diene-2,4-diamine is C=CC(C)C(C(=C)C)C(NCC)/C(=C/C)C(=C)NCCC.
What is the InChIKey of (3Z)-4-N-ethyl-3-ethylidene-6-methyl-5-prop-1-en-2-yl-2-N-propylocta-1,7-diene-2,4-diamine?
The InChIKey is ZTSJUGQLNQCDRJ-GZTJUZNOSA-N. The full InChI is InChI=1S/C19H34N2/c1-9-13-21-16(8)17(11-3)19(20-12-4)18(14(5)6)15(7)10-2/h10-11,15,18-21H,2,5,8-9,12-13H2,1,3-4,6-7H3/b17-11+.
What are the key properties of (3Z)-4-N-ethyl-3-ethylidene-6-methyl-5-prop-1-en-2-yl-2-N-propylocta-1,7-diene-2,4-diamine?
(3Z)-4-N-ethyl-3-ethylidene-6-methyl-5-prop-1-en-2-yl-2-N-propylocta-1,7-diene-2,4-diamine has a molecular weight of 290.50 g/mol, XLogP of 4.44, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-N-ethyl-3-ethylidene-6-methyl-5-prop-1-en-2-yl-2-N-propylocta-1,7-diene-2,4-diamine is sourced from PubChem (CID 118181213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).