[2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-[(aminomethylideneamino)methylidene]azanium

C20H26N7+ — CID 163940869

IUPAC[2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-[(aminomethylideneamino)methylidene]azanium
SMILESC=NC1=C(C)C=CC2(C=C1)NC(N)=NC(C1=CCCC=C1)C2/[NH+]=C/N=C/N
InChIInChI=1S/C20H25N7/c1-14-8-10-20(11-9-16(14)23-2)18(25-13-24-12-21)17(26-19(22)27-20)15-6-4-3-5-7-15/h4,6-13,17-18H,2-3,5H2,1H3,(H2,21,24,25)(H3,22,26,27)/p+1
InChIKeyRQVXXVFSBPJYQN-UHFFFAOYSA-O
MW364.48 g/mol
LogP-0.15
Rot. Bonds4

About [2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-[(aminomethylideneamino)methylidene]azanium

[2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-[(aminomethylideneamino)methylidene]azanium (PubChem CID 163940869) has the molecular formula C20H26N7+ and a molecular weight of 364.48 g/mol. Its IUPAC name is [2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-[(aminomethylideneamino)methylidene]azanium.

Molecular Properties

Compound Name[2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-[(aminomethylideneamino)methylidene]azanium
PubChem CID163940869
Molecular FormulaC20H26N7+
Molecular Weight364.48 g/mol
Exact Mass364.22
IUPAC Name[2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-[(aminomethylideneamino)methylidene]azanium
SMILESC=NC1=C(C)C=CC2(C=C1)NC(N)=NC(C1=CCCC=C1)C2/[NH+]=C/N=C/N
InChIInChI=1S/C20H25N7/c1-14-8-10-20(11-9-16(14)23-2)18(25-13-24-12-21)17(26-19(22)27-20)15-6-4-3-5-7-15/h4,6-13,17-18H,2-3,5H2,1H3,(H2,21,24,25)(H3,22,26,27)/p+1
InChIKeyRQVXXVFSBPJYQN-UHFFFAOYSA-O
XLogP-0.15
TPSA115.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.48
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-[(aminomethylideneamino)methylidene]azanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-[8-(1-aminoethyl)-4-methyl-5,6-dihydro-1H-quinazolin-4-yl]-3-cyclohepta-1,3,6-trien-1-yl-1-N-methylpropane-1,2-diamine
CID 91039308
N'-[2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-N-(aminomethylidene)methanimidamide
CID 163940870

Frequently Asked Questions

What is the IUPAC name of [2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-[(aminomethylideneamino)methylidene]azanium?
The IUPAC name of [2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-[(aminomethylideneamino)methylidene]azanium (CID 163940869) is [2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-[(aminomethylideneamino)methylidene]azanium.
What is the SMILES notation for [2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-[(aminomethylideneamino)methylidene]azanium?
The canonical SMILES for [2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-[(aminomethylideneamino)methylidene]azanium is C=NC1=C(C)C=CC2(C=C1)NC(N)=NC(C1=CCCC=C1)C2/[NH+]=C/N=C/N.
What is the InChIKey of [2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-[(aminomethylideneamino)methylidene]azanium?
The InChIKey is RQVXXVFSBPJYQN-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H25N7/c1-14-8-10-20(11-9-16(14)23-2)18(25-13-24-12-21)17(26-19(22)27-20)15-6-4-3-5-7-15/h4,6-13,17-18H,2-3,5H2,1H3,(H2,21,24,25)(H3,22,26,27)/p+1.
What are the key properties of [2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-[(aminomethylideneamino)methylidene]azanium?
[2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-[(aminomethylideneamino)methylidene]azanium has a molecular weight of 364.48 g/mol, XLogP of -0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-4-cyclohexa-1,5-dien-1-yl-10-methyl-9-(methylideneamino)-1,3-diazaspiro[5.6]dodeca-2,7,9,11-tetraen-5-yl]-[(aminomethylideneamino)methylidene]azanium is sourced from PubChem (CID 163940869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).