(Z)-3-amino-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-2-enimidoyl fluoride

C8H12FN3 — CID 139358049

IUPAC(Z)-3-amino-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(=C\N)C1=CCCNC1
InChIInChI=1S/C8H12FN3/c9-8(11)7(4-10)6-2-1-3-12-5-6/h2,4,11-12H,1,3,5,10H2/b7-4-,11-8-
InChIKeyKGJLTEUOZOQRQX-XGBXBTFKSA-N
MW169.20 g/mol
LogP0.70
Rot. Bonds2

About (Z)-3-amino-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-2-enimidoyl fluoride

(Z)-3-amino-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-2-enimidoyl fluoride (PubChem CID 139358049) has the molecular formula C8H12FN3 and a molecular weight of 169.20 g/mol. Its IUPAC name is (Z)-3-amino-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-3-amino-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-2-enimidoyl fluoride
PubChem CID139358049
Molecular FormulaC8H12FN3
Molecular Weight169.20 g/mol
Exact Mass169.10
IUPAC Name(Z)-3-amino-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(=C\N)C1=CCCNC1
InChIInChI=1S/C8H12FN3/c9-8(11)7(4-10)6-2-1-3-12-5-6/h2,4,11-12H,1,3,5,10H2/b7-4-,11-8-
InChIKeyKGJLTEUOZOQRQX-XGBXBTFKSA-N
XLogP0.70
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-3-imino-2-(5-methyl-1,2-dihydropyridin-3-yl)prop-1-en-1-amine
CID 118549041
(Z)-4-imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine
CID 139358447
(Z)-3-imino-2-(1,2,3,6-tetrahydropyridin-4-yl)prop-1-en-1-amine
CID 144453712
4-Imino-3-(1,2,3,6-tetrahydropyridin-5-yl)but-2-en-2-amine
CID 163673399
(E)-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-1-en-1-amine
CID 168941719
5,6-dihydro-4H-pyrrolo[3,4-c]pyridine
CID 175742117

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-2-enimidoyl fluoride?
The IUPAC name of (Z)-3-amino-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-2-enimidoyl fluoride (CID 139358049) is (Z)-3-amino-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-3-amino-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-2-enimidoyl fluoride?
The canonical SMILES for (Z)-3-amino-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-2-enimidoyl fluoride is [H]/N=C(F)/C(=C\N)C1=CCCNC1.
What is the InChIKey of (Z)-3-amino-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-2-enimidoyl fluoride?
The InChIKey is KGJLTEUOZOQRQX-XGBXBTFKSA-N. The full InChI is InChI=1S/C8H12FN3/c9-8(11)7(4-10)6-2-1-3-12-5-6/h2,4,11-12H,1,3,5,10H2/b7-4-,11-8-.
What are the key properties of (Z)-3-amino-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-2-enimidoyl fluoride?
(Z)-3-amino-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-2-enimidoyl fluoride has a molecular weight of 169.20 g/mol, XLogP of 0.70, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-2-(1,2,3,6-tetrahydropyridin-5-yl)prop-2-enimidoyl fluoride is sourced from PubChem (CID 139358049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).