N'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine

C14H27FN2 — CID 139566303

IUPACN'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine
SMILESC=C/C(CN(CC)CCN(C)CC)=C(/F)CC
InChIInChI=1S/C14H27FN2/c1-6-13(14(15)7-2)12-17(9-4)11-10-16(5)8-3/h6H,1,7-12H2,2-5H3/b14-13-
InChIKeyWZMGXDYDUJAPFU-YPKPFQOOSA-N
MW242.38 g/mol
LogP3.08
Rot. Bonds9

About N'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine

N'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine (PubChem CID 139566303) has the molecular formula C14H27FN2 and a molecular weight of 242.38 g/mol. Its IUPAC name is N'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine
PubChem CID139566303
Molecular FormulaC14H27FN2
Molecular Weight242.38 g/mol
Exact Mass242.22
IUPAC NameN'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine
SMILESC=C/C(CN(CC)CCN(C)CC)=C(/F)CC
InChIInChI=1S/C14H27FN2/c1-6-13(14(15)7-2)12-17(9-4)11-10-16(5)8-3/h6H,1,7-12H2,2-5H3/b14-13-
InChIKeyWZMGXDYDUJAPFU-YPKPFQOOSA-N
XLogP3.08
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-[(Z)-3-fluoroprop-1-enyl]-N,N-dimethylpenta-2,4-dien-1-amine
CID 89502908
1-Methyl-4-[2-(1,1,1-trifluoropropan-2-ylidene)pent-3-enyl]piperazine
CID 123611666
1-[2-(3,3-Difluorobutan-2-ylidene)hex-3-enyl]-4-ethylpiperazine
CID 123900297
1-Methyl-4-[2-(3,3,3-trifluoroprop-1-en-2-yl)penta-2,4-dienyl]piperazine
CID 124021711
1-[(2Z)-2-[(E)-1-fluoroprop-1-enyl]penta-2,4-dienyl]-4-methylpiperazine
CID 129043271
1-[(2Z,4Z)-1-fluoro-4-methylhexa-2,4-dienyl]-4-methyl-1,4-diazepane
CID 132199044
N',N'-diethyl-N-methyl-N-[(3Z,5Z)-5-methyl-7-(trifluoromethyl)octa-3,5,7-trienyl]ethane-1,2-diamine
CID 138564568
(2Z,3E)-2-ethylidene-3-fluoro-N,N-dimethylhexa-3,5-dien-1-amine
CID 138737220
(2E,4E)-2-ethenyl-N-(2-fluoroethyl)-N,5,6-trimethylhepta-2,4-dien-1-amine
CID 142309239
4-[(6-Fluorocyclohepta-1,4,6-trien-1-yl)methyl]-1,2-dimethylpiperazine
CID 142829516
N'-[3-(1,1-difluoroethyl)-2-fluorocyclohexa-2,4-dien-1-yl]-N,N'-dimethyl-N-propylethane-1,2-diamine
CID 143150992
N-ethyl-N'-[(5-fluorocyclohexa-1,3-dien-1-yl)methyl]-N,N'-dimethylethane-1,2-diamine
CID 143251444

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine?
The IUPAC name of N'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine (CID 139566303) is N'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine?
The canonical SMILES for N'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine is C=C/C(CN(CC)CCN(C)CC)=C(/F)CC.
What is the InChIKey of N'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine?
The InChIKey is WZMGXDYDUJAPFU-YPKPFQOOSA-N. The full InChI is InChI=1S/C14H27FN2/c1-6-13(14(15)7-2)12-17(9-4)11-10-16(5)8-3/h6H,1,7-12H2,2-5H3/b14-13-.
What are the key properties of N'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine?
N'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine has a molecular weight of 242.38 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-ethenyl-3-fluoropent-2-enyl]-N,N'-diethyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 139566303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).