cyclohexa-2,4-diene-1,1-diamine

C6H10N2 — CID 19421137

IUPACcyclohexa-2,4-diene-1,1-diamine
SMILESNC1(N)C=CC=CC1
InChIInChI=1S/C6H10N2/c7-6(8)4-2-1-3-5-6/h1-4H,5,7-8H2
InChIKeyILIVWCHUHYQQPB-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.12
Rot. Bonds

About cyclohexa-2,4-diene-1,1-diamine

cyclohexa-2,4-diene-1,1-diamine (PubChem CID 19421137) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is cyclohexa-2,4-diene-1,1-diamine.

Molecular Properties

Compound Namecyclohexa-2,4-diene-1,1-diamine
PubChem CID19421137
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Namecyclohexa-2,4-diene-1,1-diamine
SMILESNC1(N)C=CC=CC1
InChIInChI=1S/C6H10N2/c7-6(8)4-2-1-3-5-6/h1-4H,5,7-8H2
InChIKeyILIVWCHUHYQQPB-UHFFFAOYSA-N
XLogP0.12
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Diaminocyclo-hexadiene
CID 17944482
3,3-Diaminobenzene tetrahydrochloride
CID 19421136
1,5-Cyclohexadienylamine
CID 20196055
4,4-Diaminophenylmethane
CID 66854563
4-Amino-paraphenylenediamine
CID 67421268
o-Aminophenylenediamine
CID 70527256
4-Fluorocyclohexa-2,5-diene-1,1-diamine
CID 20397352
1-Fluorocyclohexa-2,4-dien-1-amine
CID 68621009
4-Fluorocyclohexa-2,4-diene-1,1-diamine
CID 70484572
4-Fluorocyclohexa-3,5-diene-1,1,2,2-tetramine
CID 154429068
1,2-Difluorocyclohexa-3,5-diene-1,2-diamine
CID 171481853
Cyclohexa-2,5-diene-1,1-diamine
CID 18374113

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-diene-1,1-diamine?
The IUPAC name of cyclohexa-2,4-diene-1,1-diamine (CID 19421137) is cyclohexa-2,4-diene-1,1-diamine.
What is the SMILES notation for cyclohexa-2,4-diene-1,1-diamine?
The canonical SMILES for cyclohexa-2,4-diene-1,1-diamine is NC1(N)C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-diene-1,1-diamine?
The InChIKey is ILIVWCHUHYQQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c7-6(8)4-2-1-3-5-6/h1-4H,5,7-8H2.
What are the key properties of cyclohexa-2,4-diene-1,1-diamine?
cyclohexa-2,4-diene-1,1-diamine has a molecular weight of 110.16 g/mol, XLogP of 0.12, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-diene-1,1-diamine is sourced from PubChem (CID 19421137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).