(Z)-but-2-ene;ethane;ethene;1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine

C24H46FN — CID 142810004

IUPAC(Z)-but-2-ene;ethane;ethene;1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESC/C(F)=C\C=C(/C)CC1(N(C)C)CCC(C)CC1.C/C=C\C.C=C.CC
InChIInChI=1S/C16H28FN.C4H8.C2H6.C2H4/c1-13-8-10-16(11-9-13,18(4)5)12-14(2)6-7-15(3)17;1-3-4-2;2*1-2/h6-7,13H,8-12H2,1-5H3;3-4H,1-2H3;1-2H3;1-2H2/b14-6+,15-7+;4-3-;;
InChIKeyUXWUDKUYRYNNRG-CGNHSWGTSA-N
MW367.64 g/mol
LogP8.12
Rot. Bonds4

About (Z)-but-2-ene;ethane;ethene;1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine

(Z)-but-2-ene;ethane;ethene;1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine (PubChem CID 142810004) has the molecular formula C24H46FN and a molecular weight of 367.64 g/mol. Its IUPAC name is (Z)-but-2-ene;ethane;ethene;1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(Z)-but-2-ene;ethane;ethene;1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine
PubChem CID142810004
Molecular FormulaC24H46FN
Molecular Weight367.64 g/mol
Exact Mass367.36
IUPAC Name(Z)-but-2-ene;ethane;ethene;1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine
SMILESC/C(F)=C\C=C(/C)CC1(N(C)C)CCC(C)CC1.C/C=C\C.C=C.CC
InChIInChI=1S/C16H28FN.C4H8.C2H6.C2H4/c1-13-8-10-16(11-9-13,18(4)5)12-14(2)6-7-15(3)17;1-3-4-2;2*1-2/h6-7,13H,8-12H2,1-5H3;3-4H,1-2H3;1-2H3;1-2H2/b14-6+,15-7+;4-3-;;
InChIKeyUXWUDKUYRYNNRG-CGNHSWGTSA-N
XLogP8.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.64
LogP ≤ 58.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-but-2-ene;ethane;ethene;1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine with MolForge

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Launch Full Analysis

Related Compounds

3-Isocyanotheonellin
CID 11368241
N-ethyl-1-[4-(4-propylcyclohexyl)cyclohexen-1-yl]-N-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 139670667
1-(2-cyclohexylethyl)-4-[(Z)-6-fluoro-6-methyl-3-methylidenehept-1-enyl]-5-methyl-3,6-dihydro-2H-pyridine
CID 155347472
(4S)-5-ethyl-1-[3-(1-fluoroethenyl)cyclohepta-1,2,4,6-tetraen-1-yl]-4-(2-fluoroethyl)-2-methyl-N,N-dipropylnon-8-en-4-amine
CID 174279458
4-[[4-[(3Z)-2-fluorohepta-1,3,5-trien-4-yl]cyclohexyl]methyl]-1-methylpiperidine
CID 142209262
1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine
CID 142810005
1-isocyano-1-methyl-4-[(2E,4E)-6-methylhepta-2,4-dien-2-yl]cyclohexane
CID 10911409
3-(cyclohepta-1,3,5,6-tetraen-1-ylmethyl)-N,N,9-trimethylspiro[5.5]undecan-3-amine
CID 91299549
(5R,7Z)-N,N,10-trimethyl-5-(6-methylcyclohexa-1,3-dien-1-yl)undeca-7,9-dien-3-amine
CID 130441282
4-[cyclohexa-2,5-dien-1-ylidene(cyclohexyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 141766650
4-[(8E,10E)-docosa-1,8,10,14,15,16-hexaen-2-yl]-N,N-dimethylcyclohexan-1-amine
CID 155073468
ethane;N,N,4-trimethyl-1-[(3E)-4-(2-methyl-4-prop-1-ynylbenzene-6-id-1-yl)hexa-1,3,5-trien-3-yl]cyclohexan-1-amine;yttrium
CID 166151642

Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;ethane;ethene;1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine?
The IUPAC name of (Z)-but-2-ene;ethane;ethene;1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine (CID 142810004) is (Z)-but-2-ene;ethane;ethene;1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for (Z)-but-2-ene;ethane;ethene;1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine?
The canonical SMILES for (Z)-but-2-ene;ethane;ethene;1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine is C/C(F)=C\C=C(/C)CC1(N(C)C)CCC(C)CC1.C/C=C\C.C=C.CC.
What is the InChIKey of (Z)-but-2-ene;ethane;ethene;1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine?
The InChIKey is UXWUDKUYRYNNRG-CGNHSWGTSA-N. The full InChI is InChI=1S/C16H28FN.C4H8.C2H6.C2H4/c1-13-8-10-16(11-9-13,18(4)5)12-14(2)6-7-15(3)17;1-3-4-2;2*1-2/h6-7,13H,8-12H2,1-5H3;3-4H,1-2H3;1-2H3;1-2H2/b14-6+,15-7+;4-3-;;.
What are the key properties of (Z)-but-2-ene;ethane;ethene;1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine?
(Z)-but-2-ene;ethane;ethene;1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine has a molecular weight of 367.64 g/mol, XLogP of 8.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;ethane;ethene;1-[(2E,4E)-5-fluoro-2-methylhexa-2,4-dienyl]-N,N,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 142810004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).