[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]methanediamine

C8H11N3 — CID 70651590

IUPAC[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]methanediamine
SMILESNC=c1ccc(=C(N)N)cc1
InChIInChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,9-11H2
InChIKeyOQPJVOPBSCHCDD-UHFFFAOYSA-N
MW149.20 g/mol
LogP-1.63
Rot. Bonds

About [4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]methanediamine

[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]methanediamine (PubChem CID 70651590) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is [4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]methanediamine.

Molecular Properties

Compound Name[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]methanediamine
PubChem CID70651590
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]methanediamine
SMILESNC=c1ccc(=C(N)N)cc1
InChIInChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,9-11H2
InChIKeyOQPJVOPBSCHCDD-UHFFFAOYSA-N
XLogP-1.63
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]methanediamine?
The IUPAC name of [4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]methanediamine (CID 70651590) is [4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]methanediamine.
What is the SMILES notation for [4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]methanediamine?
The canonical SMILES for [4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]methanediamine is NC=c1ccc(=C(N)N)cc1.
What is the InChIKey of [4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]methanediamine?
The InChIKey is OQPJVOPBSCHCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-5H,9-11H2.
What are the key properties of [4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]methanediamine?
[4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]methanediamine has a molecular weight of 149.20 g/mol, XLogP of -1.63, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(aminomethylidene)cyclohexa-2,5-dien-1-ylidene]methanediamine is sourced from PubChem (CID 70651590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).