(Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine

C12H24FN — CID 134593961

IUPAC(Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine
SMILESCC/C(C)=C(\F)CCCN(CC)CC
InChIInChI=1S/C12H24FN/c1-5-11(4)12(13)9-8-10-14(6-2)7-3/h5-10H2,1-4H3/b12-11-
InChIKeyWQUSIRXZFSVURF-QXMHVHEDSA-N
MW201.33 g/mol
LogP3.76
Rot. Bonds7

About (Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine

(Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine (PubChem CID 134593961) has the molecular formula C12H24FN and a molecular weight of 201.33 g/mol. Its IUPAC name is (Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine
PubChem CID134593961
Molecular FormulaC12H24FN
Molecular Weight201.33 g/mol
Exact Mass201.19
IUPAC Name(Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine
SMILESCC/C(C)=C(\F)CCCN(CC)CC
InChIInChI=1S/C12H24FN/c1-5-11(4)12(13)9-8-10-14(6-2)7-3/h5-10H2,1-4H3/b12-11-
InChIKeyWQUSIRXZFSVURF-QXMHVHEDSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.33
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 89224797
(E)-N-ethyl-4-fluoro-N,3-dimethylpent-3-en-1-amine
CID 89243571
(E,3Z)-N-ethyl-3-ethylidene-4-fluoro-N-methylhex-4-en-1-amine
CID 141920206
(2S,6R)-5-fluoro-1,2,4,6-tetramethyl-3,6-dihydro-2H-pyridine
CID 168260017
(2S)-2-ethyl-5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 168262029
1-(3-Fluoropropyl)-4-methyl-5-(2-methylprop-1-enyl)-2,3,6,7-tetrahydroazepine
CID 170093336
3-fluoro-1,4,5-trimethyl-3,6-dihydro-2H-pyridine
CID 177107862
1,1-Dimethyl-5-propyl-4-(trifluoromethyl)-2,3-dihydropyrrol-1-ium
CID 102236800
1-(3-fluoropropyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
CID 130725607
1-(2-fluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
CID 131085871
1-(2-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
CID 131106328
1-(3-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
CID 131132100

Frequently Asked Questions

What is the IUPAC name of (Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine?
The IUPAC name of (Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine (CID 134593961) is (Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine.
What is the SMILES notation for (Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine?
The canonical SMILES for (Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine is CC/C(C)=C(\F)CCCN(CC)CC.
What is the InChIKey of (Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine?
The InChIKey is WQUSIRXZFSVURF-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H24FN/c1-5-11(4)12(13)9-8-10-14(6-2)7-3/h5-10H2,1-4H3/b12-11-.
What are the key properties of (Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine?
(Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine has a molecular weight of 201.33 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine is sourced from PubChem (CID 134593961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).