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

C19H26N4 — CID 89085411

IUPACN-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine
SMILESC=C/C=c1/cc(C2C=C(C)NCC2)cc(NC2CNC2)/c1=C/N
InChIInChI=1S/C19H26N4/c1-3-4-15-8-16(14-5-6-22-13(2)7-14)9-19(18(15)10-20)23-17-11-21-12-17/h3-4,7-10,14,17,21-23H,1,5-6,11-12,20H2,2H3/b15-4-,18-10+
InChIKeyLDGIMMWMILKRFH-IMFNSRMQSA-N
MW310.44 g/mol
LogP0.71
Rot. Bonds4

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

N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine (PubChem CID 89085411) has the molecular formula C19H26N4 and a molecular weight of 310.44 g/mol. Its IUPAC name is N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine.

Molecular Properties

Compound NameN-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine
PubChem CID89085411
Molecular FormulaC19H26N4
Molecular Weight310.44 g/mol
Exact Mass310.22
IUPAC NameN-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine
SMILESC=C/C=c1/cc(C2C=C(C)NCC2)cc(NC2CNC2)/c1=C/N
InChIInChI=1S/C19H26N4/c1-3-4-15-8-16(14-5-6-22-13(2)7-14)9-19(18(15)10-20)23-17-11-21-12-17/h3-4,7-10,14,17,21-23H,1,5-6,11-12,20H2,2H3/b15-4-,18-10+
InChIKeyLDGIMMWMILKRFH-IMFNSRMQSA-N
XLogP0.71
TPSA62.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 50.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine?
The IUPAC name of N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine (CID 89085411) is N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine.
What is the SMILES notation for N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine?
The canonical SMILES for N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine is C=C/C=c1/cc(C2C=C(C)NCC2)cc(NC2CNC2)/c1=C/N.
What is the InChIKey of N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine?
The InChIKey is LDGIMMWMILKRFH-IMFNSRMQSA-N. The full InChI is InChI=1S/C19H26N4/c1-3-4-15-8-16(14-5-6-22-13(2)7-14)9-19(18(15)10-20)23-17-11-21-12-17/h3-4,7-10,14,17,21-23H,1,5-6,11-12,20H2,2H3/b15-4-,18-10+.
What are the key properties of N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine?
N-[(5Z,6E)-6-(aminomethylidene)-3-(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine has a molecular weight of 310.44 g/mol, XLogP of 0.71, 4 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-(6-methyl-1,2,3,4-tetrahydropyridin-4-yl)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]azetidin-3-amine is sourced from PubChem (CID 89085411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).