(Z,6Z)-3-methyl-6-[2-(trifluoromethyl)prop-2-enylidene]pentadec-7-en-3-amine

C20H34F3N — CID 143486215

IUPAC(Z,6Z)-3-methyl-6-[2-(trifluoromethyl)prop-2-enylidene]pentadec-7-en-3-amine
SMILESC=C(/C=C(\C=C/CCCCCCC)CCC(C)(N)CC)C(F)(F)F
InChIInChI=1S/C20H34F3N/c1-5-7-8-9-10-11-12-13-18(14-15-19(4,24)6-2)16-17(3)20(21,22)23/h12-13,16H,3,5-11,14-15,24H2,1-2,4H3/b13-12-,18-16+
InChIKeySUKRHVYEBBJCER-NNYYZMIXSA-N
MW345.49 g/mol
LogP6.86
Rot. Bonds12

About (Z,6Z)-3-methyl-6-[2-(trifluoromethyl)prop-2-enylidene]pentadec-7-en-3-amine

(Z,6Z)-3-methyl-6-[2-(trifluoromethyl)prop-2-enylidene]pentadec-7-en-3-amine (PubChem CID 143486215) has the molecular formula C20H34F3N and a molecular weight of 345.49 g/mol. Its IUPAC name is (Z,6Z)-3-methyl-6-[2-(trifluoromethyl)prop-2-enylidene]pentadec-7-en-3-amine.

Molecular Properties

Compound Name(Z,6Z)-3-methyl-6-[2-(trifluoromethyl)prop-2-enylidene]pentadec-7-en-3-amine
PubChem CID143486215
Molecular FormulaC20H34F3N
Molecular Weight345.49 g/mol
Exact Mass345.26
IUPAC Name(Z,6Z)-3-methyl-6-[2-(trifluoromethyl)prop-2-enylidene]pentadec-7-en-3-amine
SMILESC=C(/C=C(\C=C/CCCCCCC)CCC(C)(N)CC)C(F)(F)F
InChIInChI=1S/C20H34F3N/c1-5-7-8-9-10-11-12-13-18(14-15-19(4,24)6-2)16-17(3)20(21,22)23/h12-13,16H,3,5-11,14-15,24H2,1-2,4H3/b13-12-,18-16+
InChIKeySUKRHVYEBBJCER-NNYYZMIXSA-N
XLogP6.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.49
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

p-Dioctylphenylamine
CID 139207875
5,5-Difluoro-4,7-dimethyl-6-prop-1-enyl-6,7-bis(prop-1-en-2-yl)deca-2,9-dien-4-amine
CID 123461061
2-(7-Fluorocyclohepta-1,3,6-trien-1-yl)hexan-2-amine
CID 132198570
(8E,10Z,12E,15Z)-4-ethyl-13-fluoro-11,15-dimethyl-5-(2-methylprop-2-enyl)heptadeca-8,10,12,15-tetraen-4-amine
CID 134591212
ethane;methanol;(Z,6Z)-3-methyl-6-[2-(trifluoromethyl)prop-2-enylidene]pentadec-7-en-3-amine
CID 143486214
6-[(4Z)-2,2-difluoro-6-methyl-3-methylidenehepta-4,6-dienyl]-1,3-dimethylcyclohexa-2,4-dien-1-amine
CID 146210080
1,5-Dipropyl-4-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 150649257
(3R,4E,6E)-8,8-difluoro-3,11-dimethyl-7-(3-methylhex-1-en-2-yl)dodeca-4,6-dien-4-amine
CID 173836423
ethene;(3E,4Z,7E,9Z,13E)-1,2,8,11,13-pentamethyl-15-methylidene-3-prop-2-enylidene-2,6,11,12-tetrahydrocyclopenta[14]annulen-1-amine
CID 143375262
ethane;(4E)-4-ethyl-2-methylhepta-4,6-dien-2-amine;propane
CID 143592187
4-[(E)-hex-3-en-3-yl]-1-[(3-methylcyclopent-3-en-1-yl)methyl]cyclohex-3-en-1-amine;prop-1-ene
CID 144989297
(5R,10Z,12E)-10-ethyl-2,5,7,13-tetramethyl-9-methylidenehexadeca-10,12-dien-2-amine
CID 146206523

Frequently Asked Questions

What is the IUPAC name of (Z,6Z)-3-methyl-6-[2-(trifluoromethyl)prop-2-enylidene]pentadec-7-en-3-amine?
The IUPAC name of (Z,6Z)-3-methyl-6-[2-(trifluoromethyl)prop-2-enylidene]pentadec-7-en-3-amine (CID 143486215) is (Z,6Z)-3-methyl-6-[2-(trifluoromethyl)prop-2-enylidene]pentadec-7-en-3-amine.
What is the SMILES notation for (Z,6Z)-3-methyl-6-[2-(trifluoromethyl)prop-2-enylidene]pentadec-7-en-3-amine?
The canonical SMILES for (Z,6Z)-3-methyl-6-[2-(trifluoromethyl)prop-2-enylidene]pentadec-7-en-3-amine is C=C(/C=C(\C=C/CCCCCCC)CCC(C)(N)CC)C(F)(F)F.
What is the InChIKey of (Z,6Z)-3-methyl-6-[2-(trifluoromethyl)prop-2-enylidene]pentadec-7-en-3-amine?
The InChIKey is SUKRHVYEBBJCER-NNYYZMIXSA-N. The full InChI is InChI=1S/C20H34F3N/c1-5-7-8-9-10-11-12-13-18(14-15-19(4,24)6-2)16-17(3)20(21,22)23/h12-13,16H,3,5-11,14-15,24H2,1-2,4H3/b13-12-,18-16+.
What are the key properties of (Z,6Z)-3-methyl-6-[2-(trifluoromethyl)prop-2-enylidene]pentadec-7-en-3-amine?
(Z,6Z)-3-methyl-6-[2-(trifluoromethyl)prop-2-enylidene]pentadec-7-en-3-amine has a molecular weight of 345.49 g/mol, XLogP of 6.86, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,6Z)-3-methyl-6-[2-(trifluoromethyl)prop-2-enylidene]pentadec-7-en-3-amine is sourced from PubChem (CID 143486215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).