N,2-dimethylcyclohexa-2,4-dien-1-amine

C8H13N — CID 67962898

IUPACN,2-dimethylcyclohexa-2,4-dien-1-amine
SMILESCNC1CC=CC=C1C
InChIInChI=1S/C8H13N/c1-7-5-3-4-6-8(7)9-2/h3-5,8-9H,6H2,1-2H3
InChIKeyITPNFQBSITXOIJ-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.48
Rot. Bonds1

About N,2-dimethylcyclohexa-2,4-dien-1-amine

N,2-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 67962898) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is N,2-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,2-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID67962898
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC NameN,2-dimethylcyclohexa-2,4-dien-1-amine
SMILESCNC1CC=CC=C1C
InChIInChI=1S/C8H13N/c1-7-5-3-4-6-8(7)9-2/h3-5,8-9H,6H2,1-2H3
InChIKeyITPNFQBSITXOIJ-UHFFFAOYSA-N
XLogP1.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N,2-dimethylcyclohexa-2,4-dien-1-amine (CID 67962898) is N,2-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,2-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,2-dimethylcyclohexa-2,4-dien-1-amine is CNC1CC=CC=C1C.
What is the InChIKey of N,2-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is ITPNFQBSITXOIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-5-3-4-6-8(7)9-2/h3-5,8-9H,6H2,1-2H3.
What are the key properties of N,2-dimethylcyclohexa-2,4-dien-1-amine?
N,2-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 67962898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).