N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine

C21H28F2N4 — CID 89085449

IUPACN-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(C2CNC=C(C(F)F)C2)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C21H28F2N4/c1-2-3-14-8-15(16-9-17(21(22)23)13-26-12-16)10-20(19(14)11-24)27-18-4-6-25-7-5-18/h2-3,8,10-11,13,16,18,21,25-27H,1,4-7,9,12,24H2/b14-3-,19-11+
InChIKeySLOXLIYGCGLUJF-SAYNXBTGSA-N
MW374.48 g/mol
LogP1.74
Rot. Bonds5

About N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine

N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (PubChem CID 89085449) has the molecular formula C21H28F2N4 and a molecular weight of 374.48 g/mol. Its IUPAC name is N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
PubChem CID89085449
Molecular FormulaC21H28F2N4
Molecular Weight374.48 g/mol
Exact Mass374.23
IUPAC NameN-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(C2CNC=C(C(F)F)C2)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C21H28F2N4/c1-2-3-14-8-15(16-9-17(21(22)23)13-26-12-16)10-20(19(14)11-24)27-18-4-6-25-7-5-18/h2-3,8,10-11,13,16,18,21,25-27H,1,4-7,9,12,24H2/b14-3-,19-11+
InChIKeySLOXLIYGCGLUJF-SAYNXBTGSA-N
XLogP1.74
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.48
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (CID 89085449) is N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.
What is the SMILES notation for N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The canonical SMILES for N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is C=C/C=c1/cc(C2CNC=C(C(F)F)C2)cc(NC2CCNCC2)/c1=C/N.
What is the InChIKey of N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The InChIKey is SLOXLIYGCGLUJF-SAYNXBTGSA-N. The full InChI is InChI=1S/C21H28F2N4/c1-2-3-14-8-15(16-9-17(21(22)23)13-26-12-16)10-20(19(14)11-24)27-18-4-6-25-7-5-18/h2-3,8,10-11,13,16,18,21,25-27H,1,4-7,9,12,24H2/b14-3-,19-11+.
What are the key properties of N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine has a molecular weight of 374.48 g/mol, XLogP of 1.74, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z,6E)-6-(aminomethylidene)-3-[5-(difluoromethyl)-1,2,3,4-tetrahydropyridin-3-yl]-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is sourced from PubChem (CID 89085449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).