(3,5-dimethoxycyclohexa-1,3-dien-1-yl)methanamine

C9H15NO2 — CID 142053027

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

About (3,5-dimethoxycyclohexa-1,3-dien-1-yl)methanamine

(3,5-dimethoxycyclohexa-1,3-dien-1-yl)methanamine (PubChem CID 142053027) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (3,5-dimethoxycyclohexa-1,3-dien-1-yl)methanamine.

Molecular Properties

Compound Name(3,5-dimethoxycyclohexa-1,3-dien-1-yl)methanamine
PubChem CID142053027
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(3,5-dimethoxycyclohexa-1,3-dien-1-yl)methanamine
SMILESCOC1=CC(OC)CC(CN)=C1
InChIInChI=1S/C9H15NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3,5,9H,4,6,10H2,1-2H3
InChIKeyCWXSGFORKMAQJS-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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Related Compounds

(2-Fluoro-5-methoxycyclohexa-1,3-dien-1-yl)methanamine
CID 163434503
(2,3-dimethyl-6-methylidene-3,5-dihydro-2H-pyran-5-id-4-yl)methanamine;yttrium
CID 60125572
2-(4,5-Dimethoxycyclohexa-1,5-dien-1-yl)ethanamine
CID 70310736
(5-Methoxycyclohexa-1,3-dien-1-yl)methanamine
CID 89191435
(3,4,5-Trimethoxycyclohexa-1,3-dien-1-yl)methanamine
CID 123239183
[6-(Aminomethyl)-4-methoxycyclohepta-1,3,5-trien-1-yl] hypoiodite
CID 138598755
[(6E)-2-methoxy-5-methylidene-6-prop-2-enylidenecyclohexa-1,3-dien-1-yl]methanamine
CID 142217188
[(4Z,5E)-5-ethylidene-4-prop-2-enylidenefuran-3-yl]methanamine
CID 143527925
(2,4-Dimethoxycyclohexa-1,3-dien-1-yl)methanamine
CID 144467398
(3,4-Dimethoxycyclohexa-1,3-dien-1-yl)methanamine
CID 147667360
(2,4-Dimethoxycyclohexa-1,5-dien-1-yl)methanamine
CID 147855677
(4,6-Dimethoxycyclohexa-1,5-dien-1-yl)methanamine
CID 148454262

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxycyclohexa-1,3-dien-1-yl)methanamine?
The IUPAC name of (3,5-dimethoxycyclohexa-1,3-dien-1-yl)methanamine (CID 142053027) is (3,5-dimethoxycyclohexa-1,3-dien-1-yl)methanamine.
What is the SMILES notation for (3,5-dimethoxycyclohexa-1,3-dien-1-yl)methanamine?
The canonical SMILES for (3,5-dimethoxycyclohexa-1,3-dien-1-yl)methanamine is COC1=CC(OC)CC(CN)=C1.
What is the InChIKey of (3,5-dimethoxycyclohexa-1,3-dien-1-yl)methanamine?
The InChIKey is CWXSGFORKMAQJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3,5,9H,4,6,10H2,1-2H3.
What are the key properties of (3,5-dimethoxycyclohexa-1,3-dien-1-yl)methanamine?
(3,5-dimethoxycyclohexa-1,3-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 (3,5-dimethoxycyclohexa-1,3-dien-1-yl)methanamine is sourced from PubChem (CID 142053027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).