3-[(2S)-2-[1-(ethylamino)ethenyl]-6-methylidenepiperidin-2-yl]-3,3-difluoro-N-methylpropan-1-amine

C14H25F2N3 — CID 166107623

IUPAC3-[(2S)-2-[1-(ethylamino)ethenyl]-6-methylidenepiperidin-2-yl]-3,3-difluoro-N-methylpropan-1-amine
SMILESC=C1CCC[C@](C(=C)NCC)(C(F)(F)CCNC)N1
InChIInChI=1S/C14H25F2N3/c1-5-18-12(3)13(8-6-7-11(2)19-13)14(15,16)9-10-17-4/h17-19H,2-3,5-10H2,1,4H3/t13-/m0/s1
InChIKeyHMEFTEYIZSSFKX-ZDUSSCGKSA-N
MW273.37 g/mol
LogP2.38
Rot. Bonds7

About 3-[(2S)-2-[1-(ethylamino)ethenyl]-6-methylidenepiperidin-2-yl]-3,3-difluoro-N-methylpropan-1-amine

3-[(2S)-2-[1-(ethylamino)ethenyl]-6-methylidenepiperidin-2-yl]-3,3-difluoro-N-methylpropan-1-amine (PubChem CID 166107623) has the molecular formula C14H25F2N3 and a molecular weight of 273.37 g/mol. Its IUPAC name is 3-[(2S)-2-[1-(ethylamino)ethenyl]-6-methylidenepiperidin-2-yl]-3,3-difluoro-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[(2S)-2-[1-(ethylamino)ethenyl]-6-methylidenepiperidin-2-yl]-3,3-difluoro-N-methylpropan-1-amine
PubChem CID166107623
Molecular FormulaC14H25F2N3
Molecular Weight273.37 g/mol
Exact Mass273.20
IUPAC Name3-[(2S)-2-[1-(ethylamino)ethenyl]-6-methylidenepiperidin-2-yl]-3,3-difluoro-N-methylpropan-1-amine
SMILESC=C1CCC[C@](C(=C)NCC)(C(F)(F)CCNC)N1
InChIInChI=1S/C14H25F2N3/c1-5-18-12(3)13(8-6-7-11(2)19-13)14(15,16)9-10-17-4/h17-19H,2-3,5-10H2,1,4H3/t13-/m0/s1
InChIKeyHMEFTEYIZSSFKX-ZDUSSCGKSA-N
XLogP2.38
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

CID 138459930
CID 138459930
CID 142586354
CID 142586354
CID 158979568
CID 158979568
CID 70299273
CID 70299273
CID 70301929
CID 70301929
CID 70310485
CID 70310485
CID 134389579
CID 134389579
CID 137427764
CID 137427764
CID 143643390
CID 143643390
CID 142996231
CID 142996231

Frequently Asked Questions

What is the IUPAC name of 3-[(2S)-2-[1-(ethylamino)ethenyl]-6-methylidenepiperidin-2-yl]-3,3-difluoro-N-methylpropan-1-amine?
The IUPAC name of 3-[(2S)-2-[1-(ethylamino)ethenyl]-6-methylidenepiperidin-2-yl]-3,3-difluoro-N-methylpropan-1-amine (CID 166107623) is 3-[(2S)-2-[1-(ethylamino)ethenyl]-6-methylidenepiperidin-2-yl]-3,3-difluoro-N-methylpropan-1-amine.
What is the SMILES notation for 3-[(2S)-2-[1-(ethylamino)ethenyl]-6-methylidenepiperidin-2-yl]-3,3-difluoro-N-methylpropan-1-amine?
The canonical SMILES for 3-[(2S)-2-[1-(ethylamino)ethenyl]-6-methylidenepiperidin-2-yl]-3,3-difluoro-N-methylpropan-1-amine is C=C1CCC[C@](C(=C)NCC)(C(F)(F)CCNC)N1.
What is the InChIKey of 3-[(2S)-2-[1-(ethylamino)ethenyl]-6-methylidenepiperidin-2-yl]-3,3-difluoro-N-methylpropan-1-amine?
The InChIKey is HMEFTEYIZSSFKX-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25F2N3/c1-5-18-12(3)13(8-6-7-11(2)19-13)14(15,16)9-10-17-4/h17-19H,2-3,5-10H2,1,4H3/t13-/m0/s1.
What are the key properties of 3-[(2S)-2-[1-(ethylamino)ethenyl]-6-methylidenepiperidin-2-yl]-3,3-difluoro-N-methylpropan-1-amine?
3-[(2S)-2-[1-(ethylamino)ethenyl]-6-methylidenepiperidin-2-yl]-3,3-difluoro-N-methylpropan-1-amine has a molecular weight of 273.37 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2S)-2-[1-(ethylamino)ethenyl]-6-methylidenepiperidin-2-yl]-3,3-difluoro-N-methylpropan-1-amine is sourced from PubChem (CID 166107623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).