3-ethyl-5-fluoro-N-heptan-4-yl-N,5-dimethylhept-1-en-2-amine

C18H36FN — CID 146229451

IUPAC3-ethyl-5-fluoro-N-heptan-4-yl-N,5-dimethylhept-1-en-2-amine
SMILESC=C(C(CC)CC(C)(F)CC)N(C)C(CCC)CCC
InChIInChI=1S/C18H36FN/c1-8-12-17(13-9-2)20(7)15(5)16(10-3)14-18(6,19)11-4/h16-17H,5,8-14H2,1-4,6-7H3
InChIKeyWTLAEIOFBUKCPQ-UHFFFAOYSA-N
MW285.49 g/mol
LogP5.96
Rot. Bonds11

About 3-ethyl-5-fluoro-N-heptan-4-yl-N,5-dimethylhept-1-en-2-amine

3-ethyl-5-fluoro-N-heptan-4-yl-N,5-dimethylhept-1-en-2-amine (PubChem CID 146229451) has the molecular formula C18H36FN and a molecular weight of 285.49 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-N-heptan-4-yl-N,5-dimethylhept-1-en-2-amine.

Molecular Properties

Compound Name3-ethyl-5-fluoro-N-heptan-4-yl-N,5-dimethylhept-1-en-2-amine
PubChem CID146229451
Molecular FormulaC18H36FN
Molecular Weight285.49 g/mol
Exact Mass285.28
IUPAC Name3-ethyl-5-fluoro-N-heptan-4-yl-N,5-dimethylhept-1-en-2-amine
SMILESC=C(C(CC)CC(C)(F)CC)N(C)C(CCC)CCC
InChIInChI=1S/C18H36FN/c1-8-12-17(13-9-2)20(7)15(5)16(10-3)14-18(6,19)11-4/h16-17H,5,8-14H2,1-4,6-7H3
InChIKeyWTLAEIOFBUKCPQ-UHFFFAOYSA-N
XLogP5.96
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.49
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-fluoro-3,5-dimethylheptane
CID 123257807
ethanethiol;ethene;formaldehyde;N-hexan-3-yl-N-methylacetamide
CID 143678118
N,N-dimethylheptan-4-amine;hydrochloride
CID 138400485
(3S)-2-methyl-3-(trifluoromethyl)hex-1-ene
CID 145149361
N-buta-1,3-dien-2-yl-N-methyl-3-(trifluoromethyl)pentan-2-amine
CID 123968422
3-ethyl-2,2-difluorohexane
CID 155700319
2-(dimethylamino)pentane-1-thiol
CID 116908743
2,3-difluorohex-1-ene
CID 91244132
N-(4,4-dimethylpentan-2-yl)-2,2,2-trifluoro-N-methylacetamide
CID 130757893
1,1,3,3-tetramethylguanidine;2-(2,2,2-trifluoroethyl)hexanoate
CID 165053839
3-ethyl-2-methyldodec-1-ene
CID 174845873
1,1,1-trifluoro-N-methyl-N-propan-2-ylpentan-2-amine
CID 163257968

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-N-heptan-4-yl-N,5-dimethylhept-1-en-2-amine?
The IUPAC name of 3-ethyl-5-fluoro-N-heptan-4-yl-N,5-dimethylhept-1-en-2-amine (CID 146229451) is 3-ethyl-5-fluoro-N-heptan-4-yl-N,5-dimethylhept-1-en-2-amine.
What is the SMILES notation for 3-ethyl-5-fluoro-N-heptan-4-yl-N,5-dimethylhept-1-en-2-amine?
The canonical SMILES for 3-ethyl-5-fluoro-N-heptan-4-yl-N,5-dimethylhept-1-en-2-amine is C=C(C(CC)CC(C)(F)CC)N(C)C(CCC)CCC.
What is the InChIKey of 3-ethyl-5-fluoro-N-heptan-4-yl-N,5-dimethylhept-1-en-2-amine?
The InChIKey is WTLAEIOFBUKCPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36FN/c1-8-12-17(13-9-2)20(7)15(5)16(10-3)14-18(6,19)11-4/h16-17H,5,8-14H2,1-4,6-7H3.
What are the key properties of 3-ethyl-5-fluoro-N-heptan-4-yl-N,5-dimethylhept-1-en-2-amine?
3-ethyl-5-fluoro-N-heptan-4-yl-N,5-dimethylhept-1-en-2-amine has a molecular weight of 285.49 g/mol, XLogP of 5.96, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-N-heptan-4-yl-N,5-dimethylhept-1-en-2-amine is sourced from PubChem (CID 146229451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).