(1,5-dimethoxycyclohexa-2,4-dien-1-yl)methanamine

C9H15NO2 — CID 142751359

IUPAC(1,5-dimethoxycyclohexa-2,4-dien-1-yl)methanamine
SMILESCOC1=CC=CC(CN)(OC)C1
InChIInChI=1S/C9H15NO2/c1-11-8-4-3-5-9(6-8,7-10)12-2/h3-5H,6-7,10H2,1-2H3
InChIKeyKUTZRYZOYIXKKP-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.82
Rot. Bonds3

About (1,5-dimethoxycyclohexa-2,4-dien-1-yl)methanamine

(1,5-dimethoxycyclohexa-2,4-dien-1-yl)methanamine (PubChem CID 142751359) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (1,5-dimethoxycyclohexa-2,4-dien-1-yl)methanamine.

Molecular Properties

Compound Name(1,5-dimethoxycyclohexa-2,4-dien-1-yl)methanamine
PubChem CID142751359
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(1,5-dimethoxycyclohexa-2,4-dien-1-yl)methanamine
SMILESCOC1=CC=CC(CN)(OC)C1
InChIInChI=1S/C9H15NO2/c1-11-8-4-3-5-9(6-8,7-10)12-2/h3-5H,6-7,10H2,1-2H3
InChIKeyKUTZRYZOYIXKKP-UHFFFAOYSA-N
XLogP0.82
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,5-dimethoxycyclohexa-2,4-dien-1-yl)methanamine?
The IUPAC name of (1,5-dimethoxycyclohexa-2,4-dien-1-yl)methanamine (CID 142751359) is (1,5-dimethoxycyclohexa-2,4-dien-1-yl)methanamine.
What is the SMILES notation for (1,5-dimethoxycyclohexa-2,4-dien-1-yl)methanamine?
The canonical SMILES for (1,5-dimethoxycyclohexa-2,4-dien-1-yl)methanamine is COC1=CC=CC(CN)(OC)C1.
What is the InChIKey of (1,5-dimethoxycyclohexa-2,4-dien-1-yl)methanamine?
The InChIKey is KUTZRYZOYIXKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-11-8-4-3-5-9(6-8,7-10)12-2/h3-5H,6-7,10H2,1-2H3.
What are the key properties of (1,5-dimethoxycyclohexa-2,4-dien-1-yl)methanamine?
(1,5-dimethoxycyclohexa-2,4-dien-1-yl)methanamine has a molecular weight of 169.22 g/mol, XLogP of 0.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,5-dimethoxycyclohexa-2,4-dien-1-yl)methanamine is sourced from PubChem (CID 142751359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).