4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine

C11H19NO — CID 123784215

IUPAC4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCOC1=CCC(N(C)C(C)C)C=C1
InChIInChI=1S/C11H19NO/c1-9(2)12(3)10-5-7-11(13-4)8-6-10/h5,7-10H,6H2,1-4H3
InChIKeyLUEONWNEQHKUGJ-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.19
Rot. Bonds3

About 4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine

4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine (PubChem CID 123784215) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine
PubChem CID123784215
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine
SMILESCOC1=CCC(N(C)C(C)C)C=C1
InChIInChI=1S/C11H19NO/c1-9(2)12(3)10-5-7-11(13-4)8-6-10/h5,7-10H,6H2,1-4H3
InChIKeyLUEONWNEQHKUGJ-UHFFFAOYSA-N
XLogP2.19
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Dimethylamino-3-ethoxy-cyclopentadiene
CID 129655571
2-methoxy-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 134935258
lithium 1-(3-methoxybenzene-2-id-1-yl)-N,N-dimethylmethanamine
CID 176428131
N-(2-cyclohexa-1,5-dien-1-yloxyethyl)-N-propan-2-ylpropan-2-amine
CID 17898820
3-cyclohexa-1,5-dien-1-yloxy-N,N-dimethylpropan-1-amine
CID 18470682
(2E,4Z)-N-ethyl-4-methoxy-N,6,7-trimethylocta-2,4,6-trien-1-amine
CID 54571566
3-propan-2-yl-4,5-dihydro-2H-1,3-benzoxazole
CID 58715559
4,5-dimethoxy-N,1-dimethyl-N-propylcyclohexa-2,4-dien-1-amine
CID 70409675
3-methoxy-N,N-di(propan-2-yl)cyclohexa-1,3-dien-1-amine
CID 89569363
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylethanamine
CID 89688747
4-methoxy-N-methylcyclohexa-2,4-dien-1-amine
CID 90855668
(3E,5Z)-N-[(E)-but-2-enyl]-5,6-dimethoxy-N-methylhepta-3,5-dien-1-amine
CID 122649699

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine?
The IUPAC name of 4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine (CID 123784215) is 4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine.
What is the SMILES notation for 4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine?
The canonical SMILES for 4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine is COC1=CCC(N(C)C(C)C)C=C1.
What is the InChIKey of 4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine?
The InChIKey is LUEONWNEQHKUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)12(3)10-5-7-11(13-4)8-6-10/h5,7-10H,6H2,1-4H3.
What are the key properties of 4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine?
4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine has a molecular weight of 181.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-methyl-N-propan-2-ylcyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 123784215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).