N-benzyl-1,1,1-trifluoro-4-methyl-N-prop-2-enylpent-4-en-2-amine

C16H20F3N — CID 11403339

IUPACN-benzyl-1,1,1-trifluoro-4-methyl-N-prop-2-enylpent-4-en-2-amine
SMILESC=CCN(Cc1ccccc1)C(CC(=C)C)C(F)(F)F
InChIInChI=1S/C16H20F3N/c1-4-10-20(12-14-8-6-5-7-9-14)15(11-13(2)3)16(17,18)19/h4-9,15H,1-2,10-12H2,3H3
InChIKeyREIUWGBVYZFXBY-UHFFFAOYSA-N
MW283.34 g/mol
LogP4.57
Rot. Bonds7

About N-benzyl-1,1,1-trifluoro-4-methyl-N-prop-2-enylpent-4-en-2-amine

N-benzyl-1,1,1-trifluoro-4-methyl-N-prop-2-enylpent-4-en-2-amine (PubChem CID 11403339) has the molecular formula C16H20F3N and a molecular weight of 283.34 g/mol. Its IUPAC name is N-benzyl-1,1,1-trifluoro-4-methyl-N-prop-2-enylpent-4-en-2-amine.

Molecular Properties

Compound NameN-benzyl-1,1,1-trifluoro-4-methyl-N-prop-2-enylpent-4-en-2-amine
PubChem CID11403339
Molecular FormulaC16H20F3N
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC NameN-benzyl-1,1,1-trifluoro-4-methyl-N-prop-2-enylpent-4-en-2-amine
SMILESC=CCN(Cc1ccccc1)C(CC(=C)C)C(F)(F)F
InChIInChI=1S/C16H20F3N/c1-4-10-20(12-14-8-6-5-7-9-14)15(11-13(2)3)16(17,18)19/h4-9,15H,1-2,10-12H2,3H3
InChIKeyREIUWGBVYZFXBY-UHFFFAOYSA-N
XLogP4.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 3014024
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CID 8753
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Benzphetamine
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Benzyldimethylstearylammonium chloride
CID 31204
Benzyltrimethylammonium chloride
CID 5963
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CID 8755
N,N-Dimethylbenzylamine
CID 7681
Pargyline Hydrochloride
CID 9373
Benzyltrimethylammonium hydroxide
CID 66854
Benzododecinium Bromide
CID 23705

Frequently Asked Questions

What is the IUPAC name of N-benzyl-1,1,1-trifluoro-4-methyl-N-prop-2-enylpent-4-en-2-amine?
The IUPAC name of N-benzyl-1,1,1-trifluoro-4-methyl-N-prop-2-enylpent-4-en-2-amine (CID 11403339) is N-benzyl-1,1,1-trifluoro-4-methyl-N-prop-2-enylpent-4-en-2-amine.
What is the SMILES notation for N-benzyl-1,1,1-trifluoro-4-methyl-N-prop-2-enylpent-4-en-2-amine?
The canonical SMILES for N-benzyl-1,1,1-trifluoro-4-methyl-N-prop-2-enylpent-4-en-2-amine is C=CCN(Cc1ccccc1)C(CC(=C)C)C(F)(F)F.
What is the InChIKey of N-benzyl-1,1,1-trifluoro-4-methyl-N-prop-2-enylpent-4-en-2-amine?
The InChIKey is REIUWGBVYZFXBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N/c1-4-10-20(12-14-8-6-5-7-9-14)15(11-13(2)3)16(17,18)19/h4-9,15H,1-2,10-12H2,3H3.
What are the key properties of N-benzyl-1,1,1-trifluoro-4-methyl-N-prop-2-enylpent-4-en-2-amine?
N-benzyl-1,1,1-trifluoro-4-methyl-N-prop-2-enylpent-4-en-2-amine has a molecular weight of 283.34 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1,1,1-trifluoro-4-methyl-N-prop-2-enylpent-4-en-2-amine is sourced from PubChem (CID 11403339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).