[5-(aminomethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]methanol

C11H19NO — CID 121461582

IUPAC[5-(aminomethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]methanol
SMILESCC1=CC(C)=C(CN)C(C)C1CO
InChIInChI=1S/C11H19NO/c1-7-4-8(2)11(6-13)9(3)10(7)5-12/h4,9,11,13H,5-6,12H2,1-3H3
InChIKeyQQRKMEXGHBTQLH-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.47
Rot. Bonds2

About [5-(aminomethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]methanol

[5-(aminomethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]methanol (PubChem CID 121461582) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is [5-(aminomethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[5-(aminomethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]methanol
PubChem CID121461582
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name[5-(aminomethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]methanol
SMILESCC1=CC(C)=C(CN)C(C)C1CO
InChIInChI=1S/C11H19NO/c1-7-4-8(2)11(6-13)9(3)10(7)5-12/h4,9,11,13H,5-6,12H2,1-3H3
InChIKeyQQRKMEXGHBTQLH-UHFFFAOYSA-N
XLogP1.47
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [5-(aminomethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]methanol (CID 121461582) is [5-(aminomethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [5-(aminomethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [5-(aminomethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]methanol is CC1=CC(C)=C(CN)C(C)C1CO.
What is the InChIKey of [5-(aminomethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is QQRKMEXGHBTQLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-7-4-8(2)11(6-13)9(3)10(7)5-12/h4,9,11,13H,5-6,12H2,1-3H3.
What are the key properties of [5-(aminomethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]methanol?
[5-(aminomethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 181.28 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)-2,4,6-trimethylcyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 121461582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).