9-(1-aminoethenyl)-5a,7,8,11-tetramethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-12-methylidene-10-methylimino-3,5,6,6a,7,10a-hexahydro-2H-tetracen-1-amine

C33H43N3 — CID 126547909

IUPAC9-(1-aminoethenyl)-5a,7,8,11-tetramethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-12-methylidene-10-methylimino-3,5,6,6a,7,10a-hexahydro-2H-tetracen-1-amine
SMILESC=C(N)C1=C(C)C(C)C2CC3(C)CC4=C(C5=CC=C(C)CC5)CCC(N)=C4C(=C)C3=C(C)C2/C1=N/C
InChIInChI=1S/C33H43N3/c1-17-9-11-23(12-10-17)24-13-14-27(35)29-20(4)31-21(5)30-25(15-33(31,7)16-26(24)29)18(2)19(3)28(22(6)34)32(30)36-8/h9,11,18,25,30H,4,6,10,12-16,34-35H2,1-3,5,7-8H3/b36-32+
InChIKeyUUIXQVFACCDBAN-WIKZRCHHSA-N
MW481.73 g/mol
LogP7.38
Rot. Bonds2

About 9-(1-aminoethenyl)-5a,7,8,11-tetramethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-12-methylidene-10-methylimino-3,5,6,6a,7,10a-hexahydro-2H-tetracen-1-amine

9-(1-aminoethenyl)-5a,7,8,11-tetramethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-12-methylidene-10-methylimino-3,5,6,6a,7,10a-hexahydro-2H-tetracen-1-amine (PubChem CID 126547909) has the molecular formula C33H43N3 and a molecular weight of 481.73 g/mol. Its IUPAC name is 9-(1-aminoethenyl)-5a,7,8,11-tetramethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-12-methylidene-10-methylimino-3,5,6,6a,7,10a-hexahydro-2H-tetracen-1-amine.

Molecular Properties

Compound Name9-(1-aminoethenyl)-5a,7,8,11-tetramethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-12-methylidene-10-methylimino-3,5,6,6a,7,10a-hexahydro-2H-tetracen-1-amine
PubChem CID126547909
Molecular FormulaC33H43N3
Molecular Weight481.73 g/mol
Exact Mass481.35
IUPAC Name9-(1-aminoethenyl)-5a,7,8,11-tetramethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-12-methylidene-10-methylimino-3,5,6,6a,7,10a-hexahydro-2H-tetracen-1-amine
SMILESC=C(N)C1=C(C)C(C)C2CC3(C)CC4=C(C5=CC=C(C)CC5)CCC(N)=C4C(=C)C3=C(C)C2/C1=N/C
InChIInChI=1S/C33H43N3/c1-17-9-11-23(12-10-17)24-13-14-27(35)29-20(4)31-21(5)30-25(15-33(31,7)16-26(24)29)18(2)19(3)28(22(6)34)32(30)36-8/h9,11,18,25,30H,4,6,10,12-16,34-35H2,1-3,5,7-8H3/b36-32+
InChIKeyUUIXQVFACCDBAN-WIKZRCHHSA-N
XLogP7.38
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.73
LogP ≤ 57.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 9-(1-aminoethenyl)-5a,7,8,11-tetramethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-12-methylidene-10-methylimino-3,5,6,6a,7,10a-hexahydro-2H-tetracen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 9-(1-aminoethenyl)-5a,7,8,11-tetramethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-12-methylidene-10-methylimino-3,5,6,6a,7,10a-hexahydro-2H-tetracen-1-amine?
The IUPAC name of 9-(1-aminoethenyl)-5a,7,8,11-tetramethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-12-methylidene-10-methylimino-3,5,6,6a,7,10a-hexahydro-2H-tetracen-1-amine (CID 126547909) is 9-(1-aminoethenyl)-5a,7,8,11-tetramethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-12-methylidene-10-methylimino-3,5,6,6a,7,10a-hexahydro-2H-tetracen-1-amine.
What is the SMILES notation for 9-(1-aminoethenyl)-5a,7,8,11-tetramethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-12-methylidene-10-methylimino-3,5,6,6a,7,10a-hexahydro-2H-tetracen-1-amine?
The canonical SMILES for 9-(1-aminoethenyl)-5a,7,8,11-tetramethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-12-methylidene-10-methylimino-3,5,6,6a,7,10a-hexahydro-2H-tetracen-1-amine is C=C(N)C1=C(C)C(C)C2CC3(C)CC4=C(C5=CC=C(C)CC5)CCC(N)=C4C(=C)C3=C(C)C2/C1=N/C.
What is the InChIKey of 9-(1-aminoethenyl)-5a,7,8,11-tetramethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-12-methylidene-10-methylimino-3,5,6,6a,7,10a-hexahydro-2H-tetracen-1-amine?
The InChIKey is UUIXQVFACCDBAN-WIKZRCHHSA-N. The full InChI is InChI=1S/C33H43N3/c1-17-9-11-23(12-10-17)24-13-14-27(35)29-20(4)31-21(5)30-25(15-33(31,7)16-26(24)29)18(2)19(3)28(22(6)34)32(30)36-8/h9,11,18,25,30H,4,6,10,12-16,34-35H2,1-3,5,7-8H3/b36-32+.
What are the key properties of 9-(1-aminoethenyl)-5a,7,8,11-tetramethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-12-methylidene-10-methylimino-3,5,6,6a,7,10a-hexahydro-2H-tetracen-1-amine?
9-(1-aminoethenyl)-5a,7,8,11-tetramethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-12-methylidene-10-methylimino-3,5,6,6a,7,10a-hexahydro-2H-tetracen-1-amine has a molecular weight of 481.73 g/mol, XLogP of 7.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-aminoethenyl)-5a,7,8,11-tetramethyl-4-(4-methylcyclohexa-1,3-dien-1-yl)-12-methylidene-10-methylimino-3,5,6,6a,7,10a-hexahydro-2H-tetracen-1-amine is sourced from PubChem (CID 126547909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).