2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol

C11H19NO — CID 142113831

IUPAC2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol
SMILESCNC(C)C(O)C1=CC=CCC1C
InChIInChI=1S/C11H19NO/c1-8-6-4-5-7-10(8)11(13)9(2)12-3/h4-5,7-9,11-13H,6H2,1-3H3
InChIKeyAJRGWQLCCOQOPB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.48
Rot. Bonds3

About 2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol

2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol (PubChem CID 142113831) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol.

Molecular Properties

Compound Name2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol
PubChem CID142113831
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol
SMILESCNC(C)C(O)C1=CC=CCC1C
InChIInChI=1S/C11H19NO/c1-8-6-4-5-7-10(8)11(13)9(2)12-3/h4-5,7-9,11-13H,6H2,1-3H3
InChIKeyAJRGWQLCCOQOPB-UHFFFAOYSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-propan-2-ylcyclohexa-1,3-diene
CID 22481425
methyl 2-(6-methylcyclohexa-1,3-dien-1-yl)propanoate
CID 143459698
(6R)-1-butan-2-yl-6-methylcyclohexa-1,3-diene
CID 142008819
(2R)-2-[ethyl(methyl)amino]-2-(6-methylcyclohexa-1,3-dien-1-yl)acetic acid
CID 163469662
(1R)-2-propan-2-ylcyclohexa-2,4-dien-1-amine
CID 139334579
1-(6-methylcyclohexa-1,3-dien-1-yl)butylbenzene
CID 142113855
1-(6-methylcyclohexa-1,3-dien-1-yl)propan-2-amine
CID 143285714
6-methylcyclohexa-1,3-diene-1-carboxamide
CID 55289117
2-(6-methylcyclohexa-1,3-dien-1-yl)ethanol
CID 155053244
(1R,2S)-2-(methylamino)-1-phenylpropan-1-ol;(1S,2R)-2-(methylamino)-1-phenylpropan-1-ol
CID 68629848
1-ethyl-6-methylcyclohexa-1,3-diene
CID 91435039
[2-[hydroxy(methoxy)methyl]cyclohexa-2,4-dien-1-yl]-methoxymethanol
CID 70882493

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol?
The IUPAC name of 2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol (CID 142113831) is 2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol.
What is the SMILES notation for 2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol?
The canonical SMILES for 2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol is CNC(C)C(O)C1=CC=CCC1C.
What is the InChIKey of 2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol?
The InChIKey is AJRGWQLCCOQOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-6-4-5-7-10(8)11(13)9(2)12-3/h4-5,7-9,11-13H,6H2,1-3H3.
What are the key properties of 2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol?
2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-1-(6-methylcyclohexa-1,3-dien-1-yl)propan-1-ol is sourced from PubChem (CID 142113831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).