2-prop-2-enyl-2-propyl-N-(8,8,8-trifluorooctyl)pent-4-en-1-amine

C19H34F3N — CID 174191834

IUPAC2-prop-2-enyl-2-propyl-N-(8,8,8-trifluorooctyl)pent-4-en-1-amine
SMILESC=CCC(CC=C)(CCC)CNCCCCCCCC(F)(F)F
InChIInChI=1S/C19H34F3N/c1-4-12-18(13-5-2,14-6-3)17-23-16-11-9-7-8-10-15-19(20,21)22/h4-5,23H,1-2,6-17H2,3H3
InChIKeyATZFHIGVFHXJIP-UHFFFAOYSA-N
MW333.48 g/mol
LogP6.42
Rot. Bonds15

About 2-prop-2-enyl-2-propyl-N-(8,8,8-trifluorooctyl)pent-4-en-1-amine

2-prop-2-enyl-2-propyl-N-(8,8,8-trifluorooctyl)pent-4-en-1-amine (PubChem CID 174191834) has the molecular formula C19H34F3N and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-prop-2-enyl-2-propyl-N-(8,8,8-trifluorooctyl)pent-4-en-1-amine.

Molecular Properties

Compound Name2-prop-2-enyl-2-propyl-N-(8,8,8-trifluorooctyl)pent-4-en-1-amine
PubChem CID174191834
Molecular FormulaC19H34F3N
Molecular Weight333.48 g/mol
Exact Mass333.26
IUPAC Name2-prop-2-enyl-2-propyl-N-(8,8,8-trifluorooctyl)pent-4-en-1-amine
SMILESC=CCC(CC=C)(CCC)CNCCCCCCCC(F)(F)F
InChIInChI=1S/C19H34F3N/c1-4-12-18(13-5-2,14-6-3)17-23-16-11-9-7-8-10-15-19(20,21)22/h4-5,23H,1-2,6-17H2,3H3
InChIKeyATZFHIGVFHXJIP-UHFFFAOYSA-N
XLogP6.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(6-Fluoro-6-methylnon-8-enyl)-4-propylpiperidine
CID 91189069
4-methyl-4-prop-2-enyl-N-(3,3,3-trifluoropropyl)hept-6-en-2-amine
CID 166059860
4-methyl-4-prop-2-enyl-N-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)hept-6-en-2-amine
CID 166059861
4-methyl-4-prop-2-enyl-N-(8,8,8-trifluorooctyl)hept-6-en-2-amine
CID 166059864
2-prop-2-enyl-2-propyl-N-(3,3,3-trifluoropropyl)pent-4-en-1-amine
CID 174191833
3-Methyl-1,1-bis(prop-2-enyl)cyclobutane;8,8,8-trifluorooctan-1-amine
CID 174211712
2-[(3,3-difluorocyclohexyl)methyl]-N-ethyl-2-methylbut-3-en-1-amine
CID 114225152
2-[(3,3-difluorocyclopentyl)methyl]-2-methyl-N-(2-methylpropyl)but-3-en-1-amine
CID 114225155
(2S)-2-ethenyl-2-methyl-N-[(2S)-1,1,1-trifluoropropan-2-yl]hexan-1-amine
CID 162569961
3-(2,2-dimethylhexyl)-N,3,4,4,7-pentamethylnon-8-en-1-amine
CID 91046982
2,9-dimethyl-N-propyldodec-11-en-1-amine
CID 123415394
7-ethyl-N,4,5-trimethyl-4-propylundec-10-en-1-amine
CID 146539500

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-2-propyl-N-(8,8,8-trifluorooctyl)pent-4-en-1-amine?
The IUPAC name of 2-prop-2-enyl-2-propyl-N-(8,8,8-trifluorooctyl)pent-4-en-1-amine (CID 174191834) is 2-prop-2-enyl-2-propyl-N-(8,8,8-trifluorooctyl)pent-4-en-1-amine.
What is the SMILES notation for 2-prop-2-enyl-2-propyl-N-(8,8,8-trifluorooctyl)pent-4-en-1-amine?
The canonical SMILES for 2-prop-2-enyl-2-propyl-N-(8,8,8-trifluorooctyl)pent-4-en-1-amine is C=CCC(CC=C)(CCC)CNCCCCCCCC(F)(F)F.
What is the InChIKey of 2-prop-2-enyl-2-propyl-N-(8,8,8-trifluorooctyl)pent-4-en-1-amine?
The InChIKey is ATZFHIGVFHXJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34F3N/c1-4-12-18(13-5-2,14-6-3)17-23-16-11-9-7-8-10-15-19(20,21)22/h4-5,23H,1-2,6-17H2,3H3.
What are the key properties of 2-prop-2-enyl-2-propyl-N-(8,8,8-trifluorooctyl)pent-4-en-1-amine?
2-prop-2-enyl-2-propyl-N-(8,8,8-trifluorooctyl)pent-4-en-1-amine has a molecular weight of 333.48 g/mol, XLogP of 6.42, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-2-propyl-N-(8,8,8-trifluorooctyl)pent-4-en-1-amine is sourced from PubChem (CID 174191834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).