5-fluoro-N-methylhept-4-en-2-amine

C8H16FN — CID 134365747

IUPAC5-fluoro-N-methylhept-4-en-2-amine
SMILESCCC(F)=CCC(C)NC
InChIInChI=1S/C8H16FN/c1-4-8(9)6-5-7(2)10-3/h6-7,10H,4-5H2,1-3H3
InChIKeyISRIONJIWIUYGU-UHFFFAOYSA-N
MW145.22 g/mol
LogP2.25
Rot. Bonds4

About 5-fluoro-N-methylhept-4-en-2-amine

5-fluoro-N-methylhept-4-en-2-amine (PubChem CID 134365747) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is 5-fluoro-N-methylhept-4-en-2-amine.

Molecular Properties

Compound Name5-fluoro-N-methylhept-4-en-2-amine
PubChem CID134365747
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name5-fluoro-N-methylhept-4-en-2-amine
SMILESCCC(F)=CCC(C)NC
InChIInChI=1S/C8H16FN/c1-4-8(9)6-5-7(2)10-3/h6-7,10H,4-5H2,1-3H3
InChIKeyISRIONJIWIUYGU-UHFFFAOYSA-N
XLogP2.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Isometheptene
CID 22297
Dexisometheptene
CID 24871315
Isometheptene-mucate
CID 6604597
4-Hexenylamine, N,1-dimethyl-
CID 6435019
N,5-dimethylhex-4-en-2-amine
CID 123421000
4-fluoro-N-methylcyclohex-3-en-1-amine
CID 59640412
(E,2R)-4-fluoro-N-methyl-3-methylidenehex-4-en-2-amine
CID 117854387
(Z,2S)-1-fluoro-N-methylpent-3-en-2-amine
CID 118438715
(E)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451131
(Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451142
(Z,2S)-3-fluoro-N-methylpent-3-en-2-amine
CID 122674591
1,1,1-trifluoro-N-methyloct-5-en-2-amine
CID 123342851

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-methylhept-4-en-2-amine?
The IUPAC name of 5-fluoro-N-methylhept-4-en-2-amine (CID 134365747) is 5-fluoro-N-methylhept-4-en-2-amine.
What is the SMILES notation for 5-fluoro-N-methylhept-4-en-2-amine?
The canonical SMILES for 5-fluoro-N-methylhept-4-en-2-amine is CCC(F)=CCC(C)NC.
What is the InChIKey of 5-fluoro-N-methylhept-4-en-2-amine?
The InChIKey is ISRIONJIWIUYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16FN/c1-4-8(9)6-5-7(2)10-3/h6-7,10H,4-5H2,1-3H3.
What are the key properties of 5-fluoro-N-methylhept-4-en-2-amine?
5-fluoro-N-methylhept-4-en-2-amine has a molecular weight of 145.22 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-methylhept-4-en-2-amine is sourced from PubChem (CID 134365747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).