1,3-dimethylcyclohexa-2,4-dien-1-amine

C8H13N — CID 141274277

IUPAC1,3-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(C)(N)CC=C1
InChIInChI=1S/C8H13N/c1-7-4-3-5-8(2,9)6-7/h3-4,6H,5,9H2,1-2H3
InChIKeyIHBZSHLZPFADPW-UHFFFAOYSA-N
MW123.20 g/mol
LogP1.61
Rot. Bonds

About 1,3-dimethylcyclohexa-2,4-dien-1-amine

1,3-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 141274277) has the molecular formula C8H13N and a molecular weight of 123.20 g/mol. Its IUPAC name is 1,3-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name1,3-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID141274277
Molecular FormulaC8H13N
Molecular Weight123.20 g/mol
Exact Mass123.10
IUPAC Name1,3-dimethylcyclohexa-2,4-dien-1-amine
SMILESCC1=CC(C)(N)CC=C1
InChIInChI=1S/C8H13N/c1-7-4-3-5-8(2,9)6-7/h3-4,6H,5,9H2,1-2H3
InChIKeyIHBZSHLZPFADPW-UHFFFAOYSA-N
XLogP1.61
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.20
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 1,3-dimethylcyclohexa-2,4-dien-1-amine (CID 141274277) is 1,3-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 1,3-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 1,3-dimethylcyclohexa-2,4-dien-1-amine is CC1=CC(C)(N)CC=C1.
What is the InChIKey of 1,3-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is IHBZSHLZPFADPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N/c1-7-4-3-5-8(2,9)6-7/h3-4,6H,5,9H2,1-2H3.
What are the key properties of 1,3-dimethylcyclohexa-2,4-dien-1-amine?
1,3-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 123.20 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 141274277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).