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

C22H30N4 — CID 89085318

IUPACN-[(5Z,6E)-3-(4-amino-3-methylcyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(C2C=C(C)C(N)=CC2)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C22H30N4/c1-3-4-17-12-18(16-5-6-21(24)15(2)11-16)13-22(20(17)14-23)26-19-7-9-25-10-8-19/h3-4,6,11-14,16,19,25-26H,1,5,7-10,23-24H2,2H3/b17-4-,20-14+
InChIKeyWZNNPNPZHFQERJ-KNNVNBRPSA-N
MW350.51 g/mol
LogP1.79
Rot. Bonds4

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

N-[(5Z,6E)-3-(4-amino-3-methylcyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (PubChem CID 89085318) has the molecular formula C22H30N4 and a molecular weight of 350.51 g/mol. Its IUPAC name is N-[(5Z,6E)-3-(4-amino-3-methylcyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.

Molecular Properties

Compound NameN-[(5Z,6E)-3-(4-amino-3-methylcyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
PubChem CID89085318
Molecular FormulaC22H30N4
Molecular Weight350.51 g/mol
Exact Mass350.25
IUPAC NameN-[(5Z,6E)-3-(4-amino-3-methylcyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine
SMILESC=C/C=c1/cc(C2C=C(C)C(N)=CC2)cc(NC2CCNCC2)/c1=C/N
InChIInChI=1S/C22H30N4/c1-3-4-17-12-18(16-5-6-21(24)15(2)11-16)13-22(20(17)14-23)26-19-7-9-25-10-8-19/h3-4,6,11-14,16,19,25-26H,1,5,7-10,23-24H2,2H3/b17-4-,20-14+
InChIKeyWZNNPNPZHFQERJ-KNNVNBRPSA-N
XLogP1.79
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.51
LogP ≤ 51.79
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(5Z,6E)-3-(4-amino-3-methylcyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-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)-3-(4-amino-3-methylcyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The IUPAC name of N-[(5Z,6E)-3-(4-amino-3-methylcyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine (CID 89085318) is N-[(5Z,6E)-3-(4-amino-3-methylcyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine.
What is the SMILES notation for N-[(5Z,6E)-3-(4-amino-3-methylcyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The canonical SMILES for N-[(5Z,6E)-3-(4-amino-3-methylcyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is C=C/C=c1/cc(C2C=C(C)C(N)=CC2)cc(NC2CCNCC2)/c1=C/N.
What is the InChIKey of N-[(5Z,6E)-3-(4-amino-3-methylcyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
The InChIKey is WZNNPNPZHFQERJ-KNNVNBRPSA-N. The full InChI is InChI=1S/C22H30N4/c1-3-4-17-12-18(16-5-6-21(24)15(2)11-16)13-22(20(17)14-23)26-19-7-9-25-10-8-19/h3-4,6,11-14,16,19,25-26H,1,5,7-10,23-24H2,2H3/b17-4-,20-14+.
What are the key properties of N-[(5Z,6E)-3-(4-amino-3-methylcyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine?
N-[(5Z,6E)-3-(4-amino-3-methylcyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine has a molecular weight of 350.51 g/mol, XLogP of 1.79, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5Z,6E)-3-(4-amino-3-methylcyclohexa-2,4-dien-1-yl)-6-(aminomethylidene)-5-prop-2-enylidenecyclohexa-1,3-dien-1-yl]piperidin-4-amine is sourced from PubChem (CID 89085318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).