1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine

C8H14N2 — CID 141002110

IUPAC1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine
SMILESCNC1(NC)C=CC=CC1
InChIInChI=1S/C8H14N2/c1-9-8(10-2)6-4-3-5-7-8/h3-6,9-10H,7H2,1-2H3
InChIKeyWGJSMUGAPIDZFP-UHFFFAOYSA-N
MW138.21 g/mol
LogP0.64
Rot. Bonds2

About 1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine

1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine (PubChem CID 141002110) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine
PubChem CID141002110
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine
SMILESCNC1(NC)C=CC=CC1
InChIInChI=1S/C8H14N2/c1-9-8(10-2)6-4-3-5-7-8/h3-6,9-10H,7H2,1-2H3
InChIKeyWGJSMUGAPIDZFP-UHFFFAOYSA-N
XLogP0.64
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 50.64
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

4,4-Dimethylaminobenzonitrile
CID 129867415
5-fluoro-1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine
CID 154507667
2-ethyl-1H-pyridine-2,5-diamine
CID 68833078
1-N',4-N-dimethylcyclohexa-2,4-diene-1,1,4-triamine
CID 69585129
2-prop-2-enyl-1H-pyridin-2-amine
CID 69656004
2-ethyl-1H-pyridin-2-amine
CID 70264724
1-cyclohexa-1,5-dien-1-yl-N'-methylmethanediamine
CID 89531123
2-N,2-N'-dimethyloct-3-ene-2,2-diamine
CID 91498608
1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diamine
CID 118643109
N'-[(3Z)-hexa-3,5-dien-2-yl]-N-methylmethanediamine
CID 121420147
N'-(2-methylcyclohexa-2,4-dien-1-yl)methanediamine
CID 126636048
1-cyclohexa-1,5-dien-1-yl-1-N'-methylethane-1,1-diamine
CID 129182146

Frequently Asked Questions

What is the IUPAC name of 1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine?
The IUPAC name of 1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine (CID 141002110) is 1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine.
What is the SMILES notation for 1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine?
The canonical SMILES for 1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine is CNC1(NC)C=CC=CC1.
What is the InChIKey of 1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine?
The InChIKey is WGJSMUGAPIDZFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-9-8(10-2)6-4-3-5-7-8/h3-6,9-10H,7H2,1-2H3.
What are the key properties of 1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine?
1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine has a molecular weight of 138.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N'-dimethylcyclohexa-2,4-diene-1,1-diamine is sourced from PubChem (CID 141002110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).