(5-methoxy-5-methyl-6-propan-2-yloxycyclohexa-1,3-dien-1-yl)methanamine

C12H21NO2 — CID 142779373

IUPAC(5-methoxy-5-methyl-6-propan-2-yloxycyclohexa-1,3-dien-1-yl)methanamine
SMILESCOC1(C)C=CC=C(CN)C1OC(C)C
InChIInChI=1S/C12H21NO2/c1-9(2)15-11-10(8-13)6-5-7-12(11,3)14-4/h5-7,9,11H,8,13H2,1-4H3
InChIKeyOTVNGQXITBVXKD-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.64
Rot. Bonds4

About (5-methoxy-5-methyl-6-propan-2-yloxycyclohexa-1,3-dien-1-yl)methanamine

(5-methoxy-5-methyl-6-propan-2-yloxycyclohexa-1,3-dien-1-yl)methanamine (PubChem CID 142779373) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is (5-methoxy-5-methyl-6-propan-2-yloxycyclohexa-1,3-dien-1-yl)methanamine.

Molecular Properties

Compound Name(5-methoxy-5-methyl-6-propan-2-yloxycyclohexa-1,3-dien-1-yl)methanamine
PubChem CID142779373
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Name(5-methoxy-5-methyl-6-propan-2-yloxycyclohexa-1,3-dien-1-yl)methanamine
SMILESCOC1(C)C=CC=C(CN)C1OC(C)C
InChIInChI=1S/C12H21NO2/c1-9(2)15-11-10(8-13)6-5-7-12(11,3)14-4/h5-7,9,11H,8,13H2,1-4H3
InChIKeyOTVNGQXITBVXKD-UHFFFAOYSA-N
XLogP1.64
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-5-methyl-6-propan-2-yloxycyclohexa-1,3-dien-1-yl)methanamine?
The IUPAC name of (5-methoxy-5-methyl-6-propan-2-yloxycyclohexa-1,3-dien-1-yl)methanamine (CID 142779373) is (5-methoxy-5-methyl-6-propan-2-yloxycyclohexa-1,3-dien-1-yl)methanamine.
What is the SMILES notation for (5-methoxy-5-methyl-6-propan-2-yloxycyclohexa-1,3-dien-1-yl)methanamine?
The canonical SMILES for (5-methoxy-5-methyl-6-propan-2-yloxycyclohexa-1,3-dien-1-yl)methanamine is COC1(C)C=CC=C(CN)C1OC(C)C.
What is the InChIKey of (5-methoxy-5-methyl-6-propan-2-yloxycyclohexa-1,3-dien-1-yl)methanamine?
The InChIKey is OTVNGQXITBVXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-9(2)15-11-10(8-13)6-5-7-12(11,3)14-4/h5-7,9,11H,8,13H2,1-4H3.
What are the key properties of (5-methoxy-5-methyl-6-propan-2-yloxycyclohexa-1,3-dien-1-yl)methanamine?
(5-methoxy-5-methyl-6-propan-2-yloxycyclohexa-1,3-dien-1-yl)methanamine has a molecular weight of 211.30 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-5-methyl-6-propan-2-yloxycyclohexa-1,3-dien-1-yl)methanamine is sourced from PubChem (CID 142779373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).