(2Z)-3,3-difluoro-2-[1-(methylamino)butan-2-ylidene]piperidin-1-amine

C10H19F2N3 — CID 167116784

IUPAC(2Z)-3,3-difluoro-2-[1-(methylamino)butan-2-ylidene]piperidin-1-amine
SMILESCC/C(CNC)=C1/N(N)CCCC1(F)F
InChIInChI=1S/C10H19F2N3/c1-3-8(7-14-2)9-10(11,12)5-4-6-15(9)13/h14H,3-7,13H2,1-2H3/b9-8-
InChIKeyRDQSDUPYZCCJIQ-HJWRWDBZSA-N
MW219.28 g/mol
LogP1.47
Rot. Bonds3

About (2Z)-3,3-difluoro-2-[1-(methylamino)butan-2-ylidene]piperidin-1-amine

(2Z)-3,3-difluoro-2-[1-(methylamino)butan-2-ylidene]piperidin-1-amine (PubChem CID 167116784) has the molecular formula C10H19F2N3 and a molecular weight of 219.28 g/mol. Its IUPAC name is (2Z)-3,3-difluoro-2-[1-(methylamino)butan-2-ylidene]piperidin-1-amine.

Molecular Properties

Compound Name(2Z)-3,3-difluoro-2-[1-(methylamino)butan-2-ylidene]piperidin-1-amine
PubChem CID167116784
Molecular FormulaC10H19F2N3
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name(2Z)-3,3-difluoro-2-[1-(methylamino)butan-2-ylidene]piperidin-1-amine
SMILESCC/C(CNC)=C1/N(N)CCCC1(F)F
InChIInChI=1S/C10H19F2N3/c1-3-8(7-14-2)9-10(11,12)5-4-6-15(9)13/h14H,3-7,13H2,1-2H3/b9-8-
InChIKeyRDQSDUPYZCCJIQ-HJWRWDBZSA-N
XLogP1.47
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3,3-difluoro-2-[1-(methylamino)butan-2-ylidene]piperidin-1-amine?
The IUPAC name of (2Z)-3,3-difluoro-2-[1-(methylamino)butan-2-ylidene]piperidin-1-amine (CID 167116784) is (2Z)-3,3-difluoro-2-[1-(methylamino)butan-2-ylidene]piperidin-1-amine.
What is the SMILES notation for (2Z)-3,3-difluoro-2-[1-(methylamino)butan-2-ylidene]piperidin-1-amine?
The canonical SMILES for (2Z)-3,3-difluoro-2-[1-(methylamino)butan-2-ylidene]piperidin-1-amine is CC/C(CNC)=C1/N(N)CCCC1(F)F.
What is the InChIKey of (2Z)-3,3-difluoro-2-[1-(methylamino)butan-2-ylidene]piperidin-1-amine?
The InChIKey is RDQSDUPYZCCJIQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H19F2N3/c1-3-8(7-14-2)9-10(11,12)5-4-6-15(9)13/h14H,3-7,13H2,1-2H3/b9-8-.
What are the key properties of (2Z)-3,3-difluoro-2-[1-(methylamino)butan-2-ylidene]piperidin-1-amine?
(2Z)-3,3-difluoro-2-[1-(methylamino)butan-2-ylidene]piperidin-1-amine has a molecular weight of 219.28 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3,3-difluoro-2-[1-(methylamino)butan-2-ylidene]piperidin-1-amine is sourced from PubChem (CID 167116784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).