(Z)-but-2-ene;N-[(Z)-3-chloro-5,5,5-trifluoro-4-methyl-2-methylidenepent-3-enyl]-N-(2-methylpropyl)piperidin-4-amine

C20H34ClF3N2 — CID 142906960

IUPAC(Z)-but-2-ene;N-[(Z)-3-chloro-5,5,5-trifluoro-4-methyl-2-methylidenepent-3-enyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESC/C=C\C.C=C(CN(CC(C)C)C1CCNCC1)/C(Cl)=C(\C)C(F)(F)F
InChIInChI=1S/C16H26ClF3N2.C4H8/c1-11(2)9-22(14-5-7-21-8-6-14)10-12(3)15(17)13(4)16(18,19)20;1-3-4-2/h11,14,21H,3,5-10H2,1-2,4H3;3-4H,1-2H3/b15-13-;4-3-
InChIKeyDEPBXCZSLJNJLO-KEFVONFDSA-N
MW394.95 g/mol
LogP5.91
Rot. Bonds6

About (Z)-but-2-ene;N-[(Z)-3-chloro-5,5,5-trifluoro-4-methyl-2-methylidenepent-3-enyl]-N-(2-methylpropyl)piperidin-4-amine

(Z)-but-2-ene;N-[(Z)-3-chloro-5,5,5-trifluoro-4-methyl-2-methylidenepent-3-enyl]-N-(2-methylpropyl)piperidin-4-amine (PubChem CID 142906960) has the molecular formula C20H34ClF3N2 and a molecular weight of 394.95 g/mol. Its IUPAC name is (Z)-but-2-ene;N-[(Z)-3-chloro-5,5,5-trifluoro-4-methyl-2-methylidenepent-3-enyl]-N-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound Name(Z)-but-2-ene;N-[(Z)-3-chloro-5,5,5-trifluoro-4-methyl-2-methylidenepent-3-enyl]-N-(2-methylpropyl)piperidin-4-amine
PubChem CID142906960
Molecular FormulaC20H34ClF3N2
Molecular Weight394.95 g/mol
Exact Mass394.24
IUPAC Name(Z)-but-2-ene;N-[(Z)-3-chloro-5,5,5-trifluoro-4-methyl-2-methylidenepent-3-enyl]-N-(2-methylpropyl)piperidin-4-amine
SMILESC/C=C\C.C=C(CN(CC(C)C)C1CCNCC1)/C(Cl)=C(\C)C(F)(F)F
InChIInChI=1S/C16H26ClF3N2.C4H8/c1-11(2)9-22(14-5-7-21-8-6-14)10-12(3)15(17)13(4)16(18,19)20;1-3-4-2/h11,14,21H,3,5-10H2,1-2,4H3;3-4H,1-2H3/b15-13-;4-3-
InChIKeyDEPBXCZSLJNJLO-KEFVONFDSA-N
XLogP5.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.95
LogP ≤ 55.91
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;N-[(Z)-3-chloro-5,5,5-trifluoro-4-methyl-2-methylidenepent-3-enyl]-N-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of (Z)-but-2-ene;N-[(Z)-3-chloro-5,5,5-trifluoro-4-methyl-2-methylidenepent-3-enyl]-N-(2-methylpropyl)piperidin-4-amine (CID 142906960) is (Z)-but-2-ene;N-[(Z)-3-chloro-5,5,5-trifluoro-4-methyl-2-methylidenepent-3-enyl]-N-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for (Z)-but-2-ene;N-[(Z)-3-chloro-5,5,5-trifluoro-4-methyl-2-methylidenepent-3-enyl]-N-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for (Z)-but-2-ene;N-[(Z)-3-chloro-5,5,5-trifluoro-4-methyl-2-methylidenepent-3-enyl]-N-(2-methylpropyl)piperidin-4-amine is C/C=C\C.C=C(CN(CC(C)C)C1CCNCC1)/C(Cl)=C(\C)C(F)(F)F.
What is the InChIKey of (Z)-but-2-ene;N-[(Z)-3-chloro-5,5,5-trifluoro-4-methyl-2-methylidenepent-3-enyl]-N-(2-methylpropyl)piperidin-4-amine?
The InChIKey is DEPBXCZSLJNJLO-KEFVONFDSA-N. The full InChI is InChI=1S/C16H26ClF3N2.C4H8/c1-11(2)9-22(14-5-7-21-8-6-14)10-12(3)15(17)13(4)16(18,19)20;1-3-4-2/h11,14,21H,3,5-10H2,1-2,4H3;3-4H,1-2H3/b15-13-;4-3-.
What are the key properties of (Z)-but-2-ene;N-[(Z)-3-chloro-5,5,5-trifluoro-4-methyl-2-methylidenepent-3-enyl]-N-(2-methylpropyl)piperidin-4-amine?
(Z)-but-2-ene;N-[(Z)-3-chloro-5,5,5-trifluoro-4-methyl-2-methylidenepent-3-enyl]-N-(2-methylpropyl)piperidin-4-amine has a molecular weight of 394.95 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;N-[(Z)-3-chloro-5,5,5-trifluoro-4-methyl-2-methylidenepent-3-enyl]-N-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 142906960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).