(5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine

C9H13N3 — CID 89028331

IUPAC(5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine
SMILESC=c1c(N)ccc/c1=C/N(C)N
InChIInChI=1S/C9H13N3/c1-7-8(6-12(2)11)4-3-5-9(7)10/h3-6H,1,10-11H2,2H3/b8-6-
InChIKeyDHQPEYMQPPTQRU-VURMDHGXSA-N
MW163.22 g/mol
LogP-0.78
Rot. Bonds1

About (5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine

(5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine (PubChem CID 89028331) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is (5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine
PubChem CID89028331
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name(5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine
SMILESC=c1c(N)ccc/c1=C/N(C)N
InChIInChI=1S/C9H13N3/c1-7-8(6-12(2)11)4-3-5-9(7)10/h3-6H,1,10-11H2,2H3/b8-6-
InChIKeyDHQPEYMQPPTQRU-VURMDHGXSA-N
XLogP-0.78
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine?
The IUPAC name of (5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine (CID 89028331) is (5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine.
What is the SMILES notation for (5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine?
The canonical SMILES for (5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine is C=c1c(N)ccc/c1=C/N(C)N.
What is the InChIKey of (5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine?
The InChIKey is DHQPEYMQPPTQRU-VURMDHGXSA-N. The full InChI is InChI=1S/C9H13N3/c1-7-8(6-12(2)11)4-3-5-9(7)10/h3-6H,1,10-11H2,2H3/b8-6-.
What are the key properties of (5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine?
(5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine has a molecular weight of 163.22 g/mol, XLogP of -0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-[[amino(methyl)amino]methylidene]-6-methylidenecyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 89028331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).