4-ethyl-1-fluoro-7-methyl-5-propyldec-2-en-3-amine

C16H32FN — CID 142833904

IUPAC4-ethyl-1-fluoro-7-methyl-5-propyldec-2-en-3-amine
SMILESCCCC(C)CC(CCC)C(CC)C(N)=CCF
InChIInChI=1S/C16H32FN/c1-5-8-13(4)12-14(9-6-2)15(7-3)16(18)10-11-17/h10,13-15H,5-9,11-12,18H2,1-4H3
InChIKeyDBLQSXXGMSMBBL-UHFFFAOYSA-N
MW257.44 g/mol
LogP5.07
Rot. Bonds10

About 4-ethyl-1-fluoro-7-methyl-5-propyldec-2-en-3-amine

4-ethyl-1-fluoro-7-methyl-5-propyldec-2-en-3-amine (PubChem CID 142833904) has the molecular formula C16H32FN and a molecular weight of 257.44 g/mol. Its IUPAC name is 4-ethyl-1-fluoro-7-methyl-5-propyldec-2-en-3-amine.

Molecular Properties

Compound Name4-ethyl-1-fluoro-7-methyl-5-propyldec-2-en-3-amine
PubChem CID142833904
Molecular FormulaC16H32FN
Molecular Weight257.44 g/mol
Exact Mass257.25
IUPAC Name4-ethyl-1-fluoro-7-methyl-5-propyldec-2-en-3-amine
SMILESCCCC(C)CC(CCC)C(CC)C(N)=CCF
InChIInChI=1S/C16H32FN/c1-5-8-13(4)12-14(9-6-2)15(7-3)16(18)10-11-17/h10,13-15H,5-9,11-12,18H2,1-4H3
InChIKeyDBLQSXXGMSMBBL-UHFFFAOYSA-N
XLogP5.07
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.44
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(1S,4S)-4-(1,1-difluoroethyl)cyclohex-2-en-1-yl]but-1-en-2-amine
CID 118311879
4,5-Difluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine
CID 118588757
3,4,5-Trifluoro-6-hexyl-5-methylcyclohexa-1,3-dien-1-amine
CID 118588923
(1E,5S)-4-methyl-5-(trifluoromethyl)cycloocten-1-amine
CID 126592411
(5Z,7Z,9E)-5-cyclopropyl-3-ethyl-9-fluoro-6,7,8-trimethylundeca-1,5,7,9-tetraen-2-amine
CID 134447633
(E)-3-chloro-5-(fluoromethyl)-9-methyl-8-prop-2-enyltridec-3-en-4-amine
CID 138508670
(Z)-4-fluoro-5-methyl-3-propan-2-yl-6-propyldec-2-en-2-amine
CID 142004367
4,6-Ditert-butyl-4,6-diethyl-3-fluorocyclohexene-1,3-diamine
CID 149946308
(3R,4E,6E)-8,8-difluoro-3,11-dimethyl-7-(3-methylhex-1-en-2-yl)dodeca-4,6-dien-4-amine
CID 173836423
(E,5R,6R)-6-fluoro-4,5-dimethylhept-2-en-3-amine
CID 174074451
2,3-Dimethylnonadec-10-en-2-amine
CID 53772971
(3S,6R)-6-methyl-3-propan-2-ylcyclohepten-1-amine
CID 54316253

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-fluoro-7-methyl-5-propyldec-2-en-3-amine?
The IUPAC name of 4-ethyl-1-fluoro-7-methyl-5-propyldec-2-en-3-amine (CID 142833904) is 4-ethyl-1-fluoro-7-methyl-5-propyldec-2-en-3-amine.
What is the SMILES notation for 4-ethyl-1-fluoro-7-methyl-5-propyldec-2-en-3-amine?
The canonical SMILES for 4-ethyl-1-fluoro-7-methyl-5-propyldec-2-en-3-amine is CCCC(C)CC(CCC)C(CC)C(N)=CCF.
What is the InChIKey of 4-ethyl-1-fluoro-7-methyl-5-propyldec-2-en-3-amine?
The InChIKey is DBLQSXXGMSMBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32FN/c1-5-8-13(4)12-14(9-6-2)15(7-3)16(18)10-11-17/h10,13-15H,5-9,11-12,18H2,1-4H3.
What are the key properties of 4-ethyl-1-fluoro-7-methyl-5-propyldec-2-en-3-amine?
4-ethyl-1-fluoro-7-methyl-5-propyldec-2-en-3-amine has a molecular weight of 257.44 g/mol, XLogP of 5.07, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-fluoro-7-methyl-5-propyldec-2-en-3-amine is sourced from PubChem (CID 142833904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).