[6-(aminomethyl)-3,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol

C10H17NO3 — CID 70040192

IUPAC[6-(aminomethyl)-3,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol
SMILESCOC1=CC(CO)C(CN)(OC)C=C1
InChIInChI=1S/C10H17NO3/c1-13-9-3-4-10(7-11,14-2)8(5-9)6-12/h3-5,8,12H,6-7,11H2,1-2H3
InChIKeyNBUIRHRWOOSJKN-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.04
Rot. Bonds4

About [6-(aminomethyl)-3,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol

[6-(aminomethyl)-3,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol (PubChem CID 70040192) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is [6-(aminomethyl)-3,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[6-(aminomethyl)-3,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol
PubChem CID70040192
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name[6-(aminomethyl)-3,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol
SMILESCOC1=CC(CO)C(CN)(OC)C=C1
InChIInChI=1S/C10H17NO3/c1-13-9-3-4-10(7-11,14-2)8(5-9)6-12/h3-5,8,12H,6-7,11H2,1-2H3
InChIKeyNBUIRHRWOOSJKN-UHFFFAOYSA-N
XLogP0.04
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-3,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [6-(aminomethyl)-3,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol (CID 70040192) is [6-(aminomethyl)-3,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [6-(aminomethyl)-3,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [6-(aminomethyl)-3,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol is COC1=CC(CO)C(CN)(OC)C=C1.
What is the InChIKey of [6-(aminomethyl)-3,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is NBUIRHRWOOSJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-13-9-3-4-10(7-11,14-2)8(5-9)6-12/h3-5,8,12H,6-7,11H2,1-2H3.
What are the key properties of [6-(aminomethyl)-3,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol?
[6-(aminomethyl)-3,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 199.25 g/mol, XLogP of 0.04, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-3,6-dimethoxycyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 70040192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).