N,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine

C12H21N — CID 141182723

IUPACN,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine
SMILESCCN(CC)C1(C)C=CC=CC1C
InChIInChI=1S/C12H21N/c1-5-13(6-2)12(4)10-8-7-9-11(12)3/h7-11H,5-6H2,1-4H3
InChIKeySZFJKXHDCAULDP-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.85
Rot. Bonds3

About N,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine

N,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine (PubChem CID 141182723) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is N,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound NameN,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine
PubChem CID141182723
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC NameN,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine
SMILESCCN(CC)C1(C)C=CC=CC1C
InChIInChI=1S/C12H21N/c1-5-13(6-2)12(4)10-8-7-9-11(12)3/h7-11H,5-6H2,1-4H3
InChIKeySZFJKXHDCAULDP-UHFFFAOYSA-N
XLogP2.85
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dropempine
CID 65785
Pyridine, 1,2,3,6-tetrahydro-1,2,2,6,6-pentamethyl-, hydrochloride
CID 3048403
1-(2-Fluoro-2-methylpropyl)-6,6-dimethyl-2,5-dihydropyridine
CID 144749581
6-fluoro-N,N,1-trimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 155197686
(1S)-6-fluoro-N,N-dimethyl-4-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 155197945
5-fluoro-7a-methyl-1-(2-methylpropyl)-3aH-indole
CID 156046005
N-[(4-fluorocyclohexa-2,4-dien-1-yl)methyl]-N-methylpropan-2-amine
CID 167018962
1-Methyl-phenyl-tetrahydropyridin
CID 129628619
1-Diethylaminostyrene
CID 129871574
(2S)-1,2-dimethyl-6-[(2R)-pent-4-en-2-yl]-2H-pyridine
CID 134838483
2,2,6,6-tetramethyl-1-propan-2-yl-3H-pyridine
CID 155933595
1-tert-butyl-3,6-dihydro-2H-pyridine
CID 15889237

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine?
The IUPAC name of N,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine (CID 141182723) is N,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for N,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for N,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine is CCN(CC)C1(C)C=CC=CC1C.
What is the InChIKey of N,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine?
The InChIKey is SZFJKXHDCAULDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-5-13(6-2)12(4)10-8-7-9-11(12)3/h7-11H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine?
N,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine has a molecular weight of 179.31 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,6-dimethylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 141182723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).