1-(cyclohexa-2,4-dien-1-ylmethoxy)-3-methoxypropan-2-amine

C11H19NO2 — CID 89297529

IUPAC1-(cyclohexa-2,4-dien-1-ylmethoxy)-3-methoxypropan-2-amine
SMILESCOCC(N)COCC1C=CC=CC1
InChIInChI=1S/C11H19NO2/c1-13-8-11(12)9-14-7-10-5-3-2-4-6-10/h2-5,10-11H,6-9,12H2,1H3
InChIKeyOIWGQDJCUGVEAG-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.11
Rot. Bonds6

About 1-(cyclohexa-2,4-dien-1-ylmethoxy)-3-methoxypropan-2-amine

1-(cyclohexa-2,4-dien-1-ylmethoxy)-3-methoxypropan-2-amine (PubChem CID 89297529) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(cyclohexa-2,4-dien-1-ylmethoxy)-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(cyclohexa-2,4-dien-1-ylmethoxy)-3-methoxypropan-2-amine
PubChem CID89297529
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name1-(cyclohexa-2,4-dien-1-ylmethoxy)-3-methoxypropan-2-amine
SMILESCOCC(N)COCC1C=CC=CC1
InChIInChI=1S/C11H19NO2/c1-13-8-11(12)9-14-7-10-5-3-2-4-6-10/h2-5,10-11H,6-9,12H2,1H3
InChIKeyOIWGQDJCUGVEAG-UHFFFAOYSA-N
XLogP1.11
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-2,4-dien-1-ylmethoxy)-3-methoxypropan-2-amine?
The IUPAC name of 1-(cyclohexa-2,4-dien-1-ylmethoxy)-3-methoxypropan-2-amine (CID 89297529) is 1-(cyclohexa-2,4-dien-1-ylmethoxy)-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(cyclohexa-2,4-dien-1-ylmethoxy)-3-methoxypropan-2-amine?
The canonical SMILES for 1-(cyclohexa-2,4-dien-1-ylmethoxy)-3-methoxypropan-2-amine is COCC(N)COCC1C=CC=CC1.
What is the InChIKey of 1-(cyclohexa-2,4-dien-1-ylmethoxy)-3-methoxypropan-2-amine?
The InChIKey is OIWGQDJCUGVEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-13-8-11(12)9-14-7-10-5-3-2-4-6-10/h2-5,10-11H,6-9,12H2,1H3.
What are the key properties of 1-(cyclohexa-2,4-dien-1-ylmethoxy)-3-methoxypropan-2-amine?
1-(cyclohexa-2,4-dien-1-ylmethoxy)-3-methoxypropan-2-amine has a molecular weight of 197.28 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-2,4-dien-1-ylmethoxy)-3-methoxypropan-2-amine is sourced from PubChem (CID 89297529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).