6-[cyclopropyl(methyl)amino]-3-methylcyclohexa-1,3-dien-1-ol

C11H17NO — CID 163892760

IUPAC6-[cyclopropyl(methyl)amino]-3-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=CCC(N(C)C2CC2)C(O)=C1
InChIInChI=1S/C11H17NO/c1-8-3-6-10(11(13)7-8)12(2)9-4-5-9/h3,7,9-10,13H,4-6H2,1-2H3
InChIKeyQCYZRLLVUKSJDO-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.24
Rot. Bonds2

About 6-[cyclopropyl(methyl)amino]-3-methylcyclohexa-1,3-dien-1-ol

6-[cyclopropyl(methyl)amino]-3-methylcyclohexa-1,3-dien-1-ol (PubChem CID 163892760) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 6-[cyclopropyl(methyl)amino]-3-methylcyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-[cyclopropyl(methyl)amino]-3-methylcyclohexa-1,3-dien-1-ol
PubChem CID163892760
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name6-[cyclopropyl(methyl)amino]-3-methylcyclohexa-1,3-dien-1-ol
SMILESCC1=CCC(N(C)C2CC2)C(O)=C1
InChIInChI=1S/C11H17NO/c1-8-3-6-10(11(13)7-8)12(2)9-4-5-9/h3,7,9-10,13H,4-6H2,1-2H3
InChIKeyQCYZRLLVUKSJDO-UHFFFAOYSA-N
XLogP2.24
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Diethylamino)-6-methylcyclohexa-1,5-dien-1-ol
CID 89265185
6-(Diethylamino)-3-methylcyclohexa-1,3-dien-1-ol
CID 142862938

Frequently Asked Questions

What is the IUPAC name of 6-[cyclopropyl(methyl)amino]-3-methylcyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-[cyclopropyl(methyl)amino]-3-methylcyclohexa-1,3-dien-1-ol (CID 163892760) is 6-[cyclopropyl(methyl)amino]-3-methylcyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-[cyclopropyl(methyl)amino]-3-methylcyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-[cyclopropyl(methyl)amino]-3-methylcyclohexa-1,3-dien-1-ol is CC1=CCC(N(C)C2CC2)C(O)=C1.
What is the InChIKey of 6-[cyclopropyl(methyl)amino]-3-methylcyclohexa-1,3-dien-1-ol?
The InChIKey is QCYZRLLVUKSJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8-3-6-10(11(13)7-8)12(2)9-4-5-9/h3,7,9-10,13H,4-6H2,1-2H3.
What are the key properties of 6-[cyclopropyl(methyl)amino]-3-methylcyclohexa-1,3-dien-1-ol?
6-[cyclopropyl(methyl)amino]-3-methylcyclohexa-1,3-dien-1-ol has a molecular weight of 179.26 g/mol, XLogP of 2.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[cyclopropyl(methyl)amino]-3-methylcyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 163892760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).