(4E)-N,3-dimethyl-N-(2-methylpropyl)-4-[(Z)-pent-2-enylidene]-6-(propylideneamino)cyclohexa-1,5-dien-1-amine

C20H32N2 — CID 142277357

IUPAC(4E)-N,3-dimethyl-N-(2-methylpropyl)-4-[(Z)-pent-2-enylidene]-6-(propylideneamino)cyclohexa-1,5-dien-1-amine
SMILESCC/C=C\C=C1\C=C(/N=C/CC)C(N(C)CC(C)C)=CC1C
InChIInChI=1S/C20H32N2/c1-7-9-10-11-18-14-19(21-12-8-2)20(13-17(18)5)22(6)15-16(3)4/h9-14,16-17H,7-8,15H2,1-6H3/b10-9-,18-11-,21-12+
InChIKeySPUIXBUBCFRABW-YWLNEBMPSA-N
MW300.49 g/mol
LogP5.37
Rot. Bonds7

About (4E)-N,3-dimethyl-N-(2-methylpropyl)-4-[(Z)-pent-2-enylidene]-6-(propylideneamino)cyclohexa-1,5-dien-1-amine

(4E)-N,3-dimethyl-N-(2-methylpropyl)-4-[(Z)-pent-2-enylidene]-6-(propylideneamino)cyclohexa-1,5-dien-1-amine (PubChem CID 142277357) has the molecular formula C20H32N2 and a molecular weight of 300.49 g/mol. Its IUPAC name is (4E)-N,3-dimethyl-N-(2-methylpropyl)-4-[(Z)-pent-2-enylidene]-6-(propylideneamino)cyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(4E)-N,3-dimethyl-N-(2-methylpropyl)-4-[(Z)-pent-2-enylidene]-6-(propylideneamino)cyclohexa-1,5-dien-1-amine
PubChem CID142277357
Molecular FormulaC20H32N2
Molecular Weight300.49 g/mol
Exact Mass300.26
IUPAC Name(4E)-N,3-dimethyl-N-(2-methylpropyl)-4-[(Z)-pent-2-enylidene]-6-(propylideneamino)cyclohexa-1,5-dien-1-amine
SMILESCC/C=C\C=C1\C=C(/N=C/CC)C(N(C)CC(C)C)=CC1C
InChIInChI=1S/C20H32N2/c1-7-9-10-11-18-14-19(21-12-8-2)20(13-17(18)5)22(6)15-16(3)4/h9-14,16-17H,7-8,15H2,1-6H3/b10-9-,18-11-,21-12+
InChIKeySPUIXBUBCFRABW-YWLNEBMPSA-N
XLogP5.37
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.49
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6,9,15,17-Tetramethyl-2,6,13,17-tetrazatricyclo[16.4.0.07,12]docosa-1(22),2,4,7,11,13,15,20-octaene
CID 123780342
1-(3,4-Dihydropyridin-4-ylmethyl)-4-(2-methylcyclohexa-1,5-dien-1-yl)piperazine
CID 71047436
3,7-Dimethyl-6-(4-pentan-2-ylpiperazin-1-yl)-3,4-dihydroazocine
CID 91515650
[(4Z,7Z)-9-(diethylamino)-5-[(E)-hex-2-en-2-yl]deca-4,7,9-trienylidene]-diethylazanium
CID 118120033
3-ethyl-7-(1-methyl-3-pyridinyl)-3H-azepine
CID 124032743
4-[(1Z,3Z)-1-[[(Z)-but-2-enylidene]amino]penta-1,3-dien-2-yl]-N-[(E)-hex-3-en-3-yl]-N-[(E)-pent-1-enyl]cyclohexa-1,5-dien-1-amine
CID 124112768
3-ethyl-7-[(4-methylpiperazin-1-yl)methyl]-3H-azepine
CID 126706503
(2Z,4Z)-N,6-dimethyl-N-[(Z)-4-methylideneoct-2-en-2-yl]-3-(methyliminomethyl)hepta-2,4-dien-4-amine
CID 129066207
(1E,3E)-8-[(2E)-1-ethyl-3-methylidene-2-prop-2-enylidenepyridin-1-ium-4-yl]-N,N-dimethylocta-1,3,5,7-tetraen-1-amine
CID 136621642
2-[[(Z)-1-(3,4-dihydropyridin-6-yl)prop-1-enyl]iminomethyl]-N,N-dimethylprop-2-en-1-amine
CID 142517657
(2Z,4E)-N-methyl-4-[(Z)-(2-methyl-5-methylidene-4-pyridinylidene)methyl]-N-prop-1-en-2-ylhexa-2,4-dien-3-amine
CID 142584174
1-[(3Z)-5-methylhexa-1,3,5-trien-2-yl]-2,3-dihydropyrazin-1-ium
CID 144727127

Frequently Asked Questions

What is the IUPAC name of (4E)-N,3-dimethyl-N-(2-methylpropyl)-4-[(Z)-pent-2-enylidene]-6-(propylideneamino)cyclohexa-1,5-dien-1-amine?
The IUPAC name of (4E)-N,3-dimethyl-N-(2-methylpropyl)-4-[(Z)-pent-2-enylidene]-6-(propylideneamino)cyclohexa-1,5-dien-1-amine (CID 142277357) is (4E)-N,3-dimethyl-N-(2-methylpropyl)-4-[(Z)-pent-2-enylidene]-6-(propylideneamino)cyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (4E)-N,3-dimethyl-N-(2-methylpropyl)-4-[(Z)-pent-2-enylidene]-6-(propylideneamino)cyclohexa-1,5-dien-1-amine?
The canonical SMILES for (4E)-N,3-dimethyl-N-(2-methylpropyl)-4-[(Z)-pent-2-enylidene]-6-(propylideneamino)cyclohexa-1,5-dien-1-amine is CC/C=C\C=C1\C=C(/N=C/CC)C(N(C)CC(C)C)=CC1C.
What is the InChIKey of (4E)-N,3-dimethyl-N-(2-methylpropyl)-4-[(Z)-pent-2-enylidene]-6-(propylideneamino)cyclohexa-1,5-dien-1-amine?
The InChIKey is SPUIXBUBCFRABW-YWLNEBMPSA-N. The full InChI is InChI=1S/C20H32N2/c1-7-9-10-11-18-14-19(21-12-8-2)20(13-17(18)5)22(6)15-16(3)4/h9-14,16-17H,7-8,15H2,1-6H3/b10-9-,18-11-,21-12+.
What are the key properties of (4E)-N,3-dimethyl-N-(2-methylpropyl)-4-[(Z)-pent-2-enylidene]-6-(propylideneamino)cyclohexa-1,5-dien-1-amine?
(4E)-N,3-dimethyl-N-(2-methylpropyl)-4-[(Z)-pent-2-enylidene]-6-(propylideneamino)cyclohexa-1,5-dien-1-amine has a molecular weight of 300.49 g/mol, XLogP of 5.37, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-N,3-dimethyl-N-(2-methylpropyl)-4-[(Z)-pent-2-enylidene]-6-(propylideneamino)cyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 142277357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).