N-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide

C16H29F3N2O — CID 158997171

IUPACN-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide
SMILESC=CCCCCN(C)C(=O)C(F)(F)F.C=CCCCCNC
InChIInChI=1S/C9H14F3NO.C7H15N/c1-3-4-5-6-7-13(2)8(14)9(10,11)12;1-3-4-5-6-7-8-2/h3H,1,4-7H2,2H3;3,8H,1,4-7H2,2H3
InChIKeyJQWMOFCWCPUGQH-UHFFFAOYSA-N
MW322.42 g/mol
LogP3.93
Rot. Bonds10

About N-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide

N-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide (PubChem CID 158997171) has the molecular formula C16H29F3N2O and a molecular weight of 322.42 g/mol. Its IUPAC name is N-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide.

Molecular Properties

Compound NameN-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide
PubChem CID158997171
Molecular FormulaC16H29F3N2O
Molecular Weight322.42 g/mol
Exact Mass322.22
IUPAC NameN-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide
SMILESC=CCCCCN(C)C(=O)C(F)(F)F.C=CCCCCNC
InChIInChI=1S/C9H14F3NO.C7H15N/c1-3-4-5-6-7-13(2)8(14)9(10,11)12;1-3-4-5-6-7-8-2/h3H,1,4-7H2,2H3;3,8H,1,4-7H2,2H3
InChIKeyJQWMOFCWCPUGQH-UHFFFAOYSA-N
XLogP3.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2,2,2-trifluoro-N-methyl-N-[3-[methyl-(2,2,2-trifluoroacetyl)amino]propyl]acetamide
CID 58971605
1,3-bis(hex-5-enyl)-1-[hex-5-enyl(methyl)amino]urea
CID 118900904
2,2,2-trifluoro-N-methyl-N-[2-[methyl-[2-[methyl-(2,2,2-trifluoroacetyl)amino]ethyl]amino]ethyl]acetamide
CID 91721400
ethane;N-methyl-N-pent-4-enylacetamide
CID 143214157
N-ethyl-2,2,2-trifluoro-N-methylacetamide
CID 57170952
1-(methylamino)dec-9-en-3-one
CID 107010832
N-(6-diazo-5-oxohexyl)-2,2,2-trifluoro-N-methylacetamide
CID 85349244
N-[6-[hexa-1,5-dien-2-yl(methyl)amino]hexyl]formamide
CID 155696813
methyl-[3-(methylamino)propyl]carbamic acid
CID 18404327
N-methyl-N-[3-(methylamino)propyl]acetamide
CID 23084468
(2S)-3,3-dimethyl-2-[[2-[methyl(pent-4-enyl)amino]-2-oxoethyl]amino]butanoic acid
CID 149018278
N-methyl-N-pent-4-enylpropanamide
CID 115640317

Frequently Asked Questions

What is the IUPAC name of N-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide?
The IUPAC name of N-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide (CID 158997171) is N-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide.
What is the SMILES notation for N-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide?
The canonical SMILES for N-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide is C=CCCCCN(C)C(=O)C(F)(F)F.C=CCCCCNC.
What is the InChIKey of N-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide?
The InChIKey is JQWMOFCWCPUGQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO.C7H15N/c1-3-4-5-6-7-13(2)8(14)9(10,11)12;1-3-4-5-6-7-8-2/h3H,1,4-7H2,2H3;3,8H,1,4-7H2,2H3.
What are the key properties of N-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide?
N-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide has a molecular weight of 322.42 g/mol, XLogP of 3.93, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhex-5-en-1-amine;2,2,2-trifluoro-N-hex-5-enyl-N-methylacetamide is sourced from PubChem (CID 158997171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).