ethane;4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine

C12H21NO — CID 142305975

IUPACethane;4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
SMILESCC.COC1=CC2CC2C=C1N(C)C
InChIInChI=1S/C10H15NO.C2H6/c1-11(2)9-5-7-4-8(7)6-10(9)12-3;1-2/h5-8H,4H2,1-3H3;1-2H3
InChIKeyZEXWHFSNJCECBC-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.64
Rot. Bonds2

About ethane;4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine

ethane;4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine (PubChem CID 142305975) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is ethane;4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine.

Molecular Properties

Compound Nameethane;4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
PubChem CID142305975
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Nameethane;4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
SMILESCC.COC1=CC2CC2C=C1N(C)C
InChIInChI=1S/C10H15NO.C2H6/c1-11(2)9-5-7-4-8(7)6-10(9)12-3;1-2/h5-8H,4H2,1-3H3;1-2H3
InChIKeyZEXWHFSNJCECBC-UHFFFAOYSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine
CID 145146516
ethane;6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 145384647
4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine
CID 142305976
4-methyl-3,5a,6,6a-tetrahydro-2H-cyclopropa[g][1,4]benzoxazine
CID 145146517
6-methoxy-N,N-dimethylcyclohexa-1,5-dien-1-amine
CID 145384648
1-[(E)-2-cyclopropylprop-1-enyl]-3-methoxy-5-methyl-2-methylidenepyridine
CID 164911221

Frequently Asked Questions

What is the IUPAC name of ethane;4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
The IUPAC name of ethane;4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine (CID 142305975) is ethane;4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine.
What is the SMILES notation for ethane;4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
The canonical SMILES for ethane;4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine is CC.COC1=CC2CC2C=C1N(C)C.
What is the InChIKey of ethane;4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
The InChIKey is ZEXWHFSNJCECBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C2H6/c1-11(2)9-5-7-4-8(7)6-10(9)12-3;1-2/h5-8H,4H2,1-3H3;1-2H3.
What are the key properties of ethane;4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine?
ethane;4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine has a molecular weight of 195.31 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methoxy-N,N-dimethylbicyclo[4.1.0]hepta-2,4-dien-3-amine is sourced from PubChem (CID 142305975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).