[4-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol

C11H19NO — CID 91242625

IUPAC[4-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol
SMILESCNCCC1(C)C=CC(CO)=CC1
InChIInChI=1S/C11H19NO/c1-11(7-8-12-2)5-3-10(9-13)4-6-11/h3-5,12-13H,6-9H2,1-2H3
InChIKeyGRIJRSLXTVIQJC-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.48
Rot. Bonds4

About [4-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol

[4-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol (PubChem CID 91242625) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is [4-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol.

Molecular Properties

Compound Name[4-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol
PubChem CID91242625
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name[4-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol
SMILESCNCCC1(C)C=CC(CO)=CC1
InChIInChI=1S/C11H19NO/c1-11(7-8-12-2)5-3-10(9-13)4-6-11/h3-5,12-13H,6-9H2,1-2H3
InChIKeyGRIJRSLXTVIQJC-UHFFFAOYSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 142015032
(E,5S)-2-methyl-5-(1,2,3,6-tetrahydropyridin-5-yl)hept-2-en-1-ol
CID 68213288
1-Cyclohexa-1,5-dien-1-yl-3-(methylamino)propan-1-ol
CID 89296934
spiro[4H-azulene-1,4'-piperidine]-4-ol
CID 141950598
ethane;[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 142015031
4-[(2E,4Z)-hexa-2,4-dien-3-yl]piperidin-4-ol;methanol
CID 142135233
3-Cyclohexa-1,5-dien-1-yl-1-(methylamino)pentan-3-ol
CID 142251385
ethane;[4-[(3E,5Z)-hepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 143563754
ethane;[4-[(3E)-hexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
CID 143618658
(2Z)-2-[(4Z)-4-ethylidenepiperidin-3-ylidene]but-3-en-1-ol
CID 144616608
(1R)-4-piperidin-4-ylcyclohexa-2,4-dien-1-ol
CID 163818708
[4-[1-(Propylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol
CID 163888832

Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol?
The IUPAC name of [4-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol (CID 91242625) is [4-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol.
What is the SMILES notation for [4-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol?
The canonical SMILES for [4-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol is CNCCC1(C)C=CC(CO)=CC1.
What is the InChIKey of [4-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol?
The InChIKey is GRIJRSLXTVIQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-11(7-8-12-2)5-3-10(9-13)4-6-11/h3-5,12-13H,6-9H2,1-2H3.
What are the key properties of [4-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol?
[4-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol has a molecular weight of 181.28 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol is sourced from PubChem (CID 91242625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).