6-amino-N-[3-[[3-amino-2-[(Z)-2-aminoethenyl]iminobut-3-enoyl]amino]prop-1-en-2-yl]-2-methyl-N-(6-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-diene-1-carboxamide

C24H32N6O2 — CID 87160336

IUPAC6-amino-N-[3-[[3-amino-2-[(Z)-2-aminoethenyl]iminobut-3-enoyl]amino]prop-1-en-2-yl]-2-methyl-N-(6-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-diene-1-carboxamide
SMILESC=C(N)/C(=N\C=C/N)C(=O)NCC(=C)N(C(=O)C1=C(C)CCC=C1N)C1=CCCC=C1C
InChIInChI=1S/C24H32N6O2/c1-15-8-5-6-11-20(15)30(24(32)21-16(2)9-7-10-19(21)27)17(3)14-29-23(31)22(18(4)26)28-13-12-25/h8,10-13H,3-7,9,14,25-27H2,1-2H3,(H,29,31)/b13-12-,28-22+
InChIKeyIWWGLDADHWYMPS-ZJFIMPQTSA-N
MW436.56 g/mol
LogP2.37
Rot. Bonds8

About 6-amino-N-[3-[[3-amino-2-[(Z)-2-aminoethenyl]iminobut-3-enoyl]amino]prop-1-en-2-yl]-2-methyl-N-(6-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-diene-1-carboxamide

6-amino-N-[3-[[3-amino-2-[(Z)-2-aminoethenyl]iminobut-3-enoyl]amino]prop-1-en-2-yl]-2-methyl-N-(6-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 87160336) has the molecular formula C24H32N6O2 and a molecular weight of 436.56 g/mol. Its IUPAC name is 6-amino-N-[3-[[3-amino-2-[(Z)-2-aminoethenyl]iminobut-3-enoyl]amino]prop-1-en-2-yl]-2-methyl-N-(6-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name6-amino-N-[3-[[3-amino-2-[(Z)-2-aminoethenyl]iminobut-3-enoyl]amino]prop-1-en-2-yl]-2-methyl-N-(6-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID87160336
Molecular FormulaC24H32N6O2
Molecular Weight436.56 g/mol
Exact Mass436.26
IUPAC Name6-amino-N-[3-[[3-amino-2-[(Z)-2-aminoethenyl]iminobut-3-enoyl]amino]prop-1-en-2-yl]-2-methyl-N-(6-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-diene-1-carboxamide
SMILESC=C(N)/C(=N\C=C/N)C(=O)NCC(=C)N(C(=O)C1=C(C)CCC=C1N)C1=CCCC=C1C
InChIInChI=1S/C24H32N6O2/c1-15-8-5-6-11-20(15)30(24(32)21-16(2)9-7-10-19(21)27)17(3)14-29-23(31)22(18(4)26)28-13-12-25/h8,10-13H,3-7,9,14,25-27H2,1-2H3,(H,29,31)/b13-12-,28-22+
InChIKeyIWWGLDADHWYMPS-ZJFIMPQTSA-N
XLogP2.37
TPSA139.83 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 52.37
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-amino-N-[3-[[3-amino-2-[(Z)-2-aminoethenyl]iminobut-3-enoyl]amino]prop-1-en-2-yl]-2-methyl-N-(6-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-diene-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[3-[[3-amino-2-[(Z)-2-aminoethenyl]iminobut-3-enoyl]amino]prop-1-en-2-yl]-2-methyl-N-(6-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 6-amino-N-[3-[[3-amino-2-[(Z)-2-aminoethenyl]iminobut-3-enoyl]amino]prop-1-en-2-yl]-2-methyl-N-(6-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-diene-1-carboxamide (CID 87160336) is 6-amino-N-[3-[[3-amino-2-[(Z)-2-aminoethenyl]iminobut-3-enoyl]amino]prop-1-en-2-yl]-2-methyl-N-(6-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 6-amino-N-[3-[[3-amino-2-[(Z)-2-aminoethenyl]iminobut-3-enoyl]amino]prop-1-en-2-yl]-2-methyl-N-(6-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 6-amino-N-[3-[[3-amino-2-[(Z)-2-aminoethenyl]iminobut-3-enoyl]amino]prop-1-en-2-yl]-2-methyl-N-(6-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-diene-1-carboxamide is C=C(N)/C(=N\C=C/N)C(=O)NCC(=C)N(C(=O)C1=C(C)CCC=C1N)C1=CCCC=C1C.
What is the InChIKey of 6-amino-N-[3-[[3-amino-2-[(Z)-2-aminoethenyl]iminobut-3-enoyl]amino]prop-1-en-2-yl]-2-methyl-N-(6-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is IWWGLDADHWYMPS-ZJFIMPQTSA-N. The full InChI is InChI=1S/C24H32N6O2/c1-15-8-5-6-11-20(15)30(24(32)21-16(2)9-7-10-19(21)27)17(3)14-29-23(31)22(18(4)26)28-13-12-25/h8,10-13H,3-7,9,14,25-27H2,1-2H3,(H,29,31)/b13-12-,28-22+.
What are the key properties of 6-amino-N-[3-[[3-amino-2-[(Z)-2-aminoethenyl]iminobut-3-enoyl]amino]prop-1-en-2-yl]-2-methyl-N-(6-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-diene-1-carboxamide?
6-amino-N-[3-[[3-amino-2-[(Z)-2-aminoethenyl]iminobut-3-enoyl]amino]prop-1-en-2-yl]-2-methyl-N-(6-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 436.56 g/mol, XLogP of 2.37, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-[[3-amino-2-[(Z)-2-aminoethenyl]iminobut-3-enoyl]amino]prop-1-en-2-yl]-2-methyl-N-(6-methylcyclohexa-1,5-dien-1-yl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 87160336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).