1-butyl-4-methylpiperidine;ethane;4-ethyl-N,N-dimethylcyclohexan-1-amine;(3E,5Z,8E)-5-methyl-3-(trifluoromethyl)deca-1,3,5,8-tetraen-2-amine

C34H64F3N3 — CID 143122280

IUPAC1-butyl-4-methylpiperidine;ethane;4-ethyl-N,N-dimethylcyclohexan-1-amine;(3E,5Z,8E)-5-methyl-3-(trifluoromethyl)deca-1,3,5,8-tetraen-2-amine
SMILESC=C(N)/C(=C\C(C)=C/C/C=C/C)C(F)(F)F.CC.CCC1CCC(N(C)C)CC1.CCCCN1CCC(C)CC1
InChIInChI=1S/C12H16F3N.2C10H21N.C2H6/c1-4-5-6-7-9(2)8-11(10(3)16)12(13,14)15;1-4-9-5-7-10(8-6-9)11(2)3;1-3-4-7-11-8-5-10(2)6-9-11;1-2/h4-5,7-8H,3,6,16H2,1-2H3;9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;1-2H3/b5-4+,9-7-,11-8+;;;
InChIKeyLNKUZKIWSWWABD-GSYRNVQJSA-N
MW571.90 g/mol
LogP9.92
Rot. Bonds9

About 1-butyl-4-methylpiperidine;ethane;4-ethyl-N,N-dimethylcyclohexan-1-amine;(3E,5Z,8E)-5-methyl-3-(trifluoromethyl)deca-1,3,5,8-tetraen-2-amine

1-butyl-4-methylpiperidine;ethane;4-ethyl-N,N-dimethylcyclohexan-1-amine;(3E,5Z,8E)-5-methyl-3-(trifluoromethyl)deca-1,3,5,8-tetraen-2-amine (PubChem CID 143122280) has the molecular formula C34H64F3N3 and a molecular weight of 571.90 g/mol. Its IUPAC name is 1-butyl-4-methylpiperidine;ethane;4-ethyl-N,N-dimethylcyclohexan-1-amine;(3E,5Z,8E)-5-methyl-3-(trifluoromethyl)deca-1,3,5,8-tetraen-2-amine.

Molecular Properties

Compound Name1-butyl-4-methylpiperidine;ethane;4-ethyl-N,N-dimethylcyclohexan-1-amine;(3E,5Z,8E)-5-methyl-3-(trifluoromethyl)deca-1,3,5,8-tetraen-2-amine
PubChem CID143122280
Molecular FormulaC34H64F3N3
Molecular Weight571.90 g/mol
Exact Mass571.51
IUPAC Name1-butyl-4-methylpiperidine;ethane;4-ethyl-N,N-dimethylcyclohexan-1-amine;(3E,5Z,8E)-5-methyl-3-(trifluoromethyl)deca-1,3,5,8-tetraen-2-amine
SMILESC=C(N)/C(=C\C(C)=C/C/C=C/C)C(F)(F)F.CC.CCC1CCC(N(C)C)CC1.CCCCN1CCC(C)CC1
InChIInChI=1S/C12H16F3N.2C10H21N.C2H6/c1-4-5-6-7-9(2)8-11(10(3)16)12(13,14)15;1-4-9-5-7-10(8-6-9)11(2)3;1-3-4-7-11-8-5-10(2)6-9-11;1-2/h4-5,7-8H,3,6,16H2,1-2H3;9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;1-2H3/b5-4+,9-7-,11-8+;;;
InChIKeyLNKUZKIWSWWABD-GSYRNVQJSA-N
XLogP9.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.90
LogP ≤ 59.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

10-cyclohepta-1,3,5-trien-1-yl-3-[(3Z,5Z)-4-(1,1-difluoroethyl)-6-ethyl-3-methylocta-1,3,5,7-tetraen-2-yl]-8-propyl-3-azaspiro[5.5]undecane
CID 129019213
(8S,10E)-3-[1-[4-(2,2-difluoroethyl)-3-ethylcyclohepta-1,3-dien-1-yl]ethenyl]-8-(2-methylpropyl)-10-[(2Z)-penta-2,4-dienylidene]-3-azaspiro[5.5]undecane
CID 130370966
(1R)-N-hexa-1,3-dien-3-yl-3-(2-piperidin-1-ylethyl)-5-(trifluoromethyl)cyclohexan-1-amine
CID 138519745
7-(3-aminobut-3-enyl)-2-(4,4-difluoropiperidin-1-yl)-N-ethyl-8-methyl-N-[1-[1-[(3E,5E)-5-methyl-3-[(Z)-prop-1-enyl]octa-3,5-dien-2-yl]-3,4-dihydro-2H-pyridin-6-yl]ethenyl]-8,9-dihydropyrido[1,2-a]azepin-3-amine
CID 167066127
3-[(4-fluorocyclohexyl)methyl]-5-methyl-2-methylidene-6-[2-methyl-5-[[(2S,5S)-5-methyl-2-[(4S)-4-methyloctyl]piperidin-1-yl]methyl]hex-5-en-2-yl]-1H-pyridine
CID 170603196

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-methylpiperidine;ethane;4-ethyl-N,N-dimethylcyclohexan-1-amine;(3E,5Z,8E)-5-methyl-3-(trifluoromethyl)deca-1,3,5,8-tetraen-2-amine?
The IUPAC name of 1-butyl-4-methylpiperidine;ethane;4-ethyl-N,N-dimethylcyclohexan-1-amine;(3E,5Z,8E)-5-methyl-3-(trifluoromethyl)deca-1,3,5,8-tetraen-2-amine (CID 143122280) is 1-butyl-4-methylpiperidine;ethane;4-ethyl-N,N-dimethylcyclohexan-1-amine;(3E,5Z,8E)-5-methyl-3-(trifluoromethyl)deca-1,3,5,8-tetraen-2-amine.
What is the SMILES notation for 1-butyl-4-methylpiperidine;ethane;4-ethyl-N,N-dimethylcyclohexan-1-amine;(3E,5Z,8E)-5-methyl-3-(trifluoromethyl)deca-1,3,5,8-tetraen-2-amine?
The canonical SMILES for 1-butyl-4-methylpiperidine;ethane;4-ethyl-N,N-dimethylcyclohexan-1-amine;(3E,5Z,8E)-5-methyl-3-(trifluoromethyl)deca-1,3,5,8-tetraen-2-amine is C=C(N)/C(=C\C(C)=C/C/C=C/C)C(F)(F)F.CC.CCC1CCC(N(C)C)CC1.CCCCN1CCC(C)CC1.
What is the InChIKey of 1-butyl-4-methylpiperidine;ethane;4-ethyl-N,N-dimethylcyclohexan-1-amine;(3E,5Z,8E)-5-methyl-3-(trifluoromethyl)deca-1,3,5,8-tetraen-2-amine?
The InChIKey is LNKUZKIWSWWABD-GSYRNVQJSA-N. The full InChI is InChI=1S/C12H16F3N.2C10H21N.C2H6/c1-4-5-6-7-9(2)8-11(10(3)16)12(13,14)15;1-4-9-5-7-10(8-6-9)11(2)3;1-3-4-7-11-8-5-10(2)6-9-11;1-2/h4-5,7-8H,3,6,16H2,1-2H3;9-10H,4-8H2,1-3H3;10H,3-9H2,1-2H3;1-2H3/b5-4+,9-7-,11-8+;;;.
What are the key properties of 1-butyl-4-methylpiperidine;ethane;4-ethyl-N,N-dimethylcyclohexan-1-amine;(3E,5Z,8E)-5-methyl-3-(trifluoromethyl)deca-1,3,5,8-tetraen-2-amine?
1-butyl-4-methylpiperidine;ethane;4-ethyl-N,N-dimethylcyclohexan-1-amine;(3E,5Z,8E)-5-methyl-3-(trifluoromethyl)deca-1,3,5,8-tetraen-2-amine has a molecular weight of 571.90 g/mol, XLogP of 9.92, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-methylpiperidine;ethane;4-ethyl-N,N-dimethylcyclohexan-1-amine;(3E,5Z,8E)-5-methyl-3-(trifluoromethyl)deca-1,3,5,8-tetraen-2-amine is sourced from PubChem (CID 143122280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).