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

C10H17NO — CID 23615949

IUPAC[(1R)-1-[1-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol
SMILESCNC(C)[C@]1(CO)C=CC=CC1
InChIInChI=1S/C10H17NO/c1-9(11-2)10(8-12)6-4-3-5-7-10/h3-6,9,11-12H,7-8H2,1-2H3/t9?,10-/m1/s1
InChIKeyLCZAFIJHAMPOLW-QVDQXJPCSA-N
MW167.25 g/mol
LogP1.09
Rot. Bonds3

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

[(1R)-1-[1-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 23615949) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is [(1R)-1-[1-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-1-[1-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol
PubChem CID23615949
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name[(1R)-1-[1-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol
SMILESCNC(C)[C@]1(CO)C=CC=CC1
InChIInChI=1S/C10H17NO/c1-9(11-2)10(8-12)6-4-3-5-7-10/h3-6,9,11-12H,7-8H2,1-2H3/t9?,10-/m1/s1
InChIKeyLCZAFIJHAMPOLW-QVDQXJPCSA-N
XLogP1.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(Methylaminomethyl)cyclopent-3-en-1-yl]methanol
CID 54285736
(2,3,3-Trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol
CID 89133248
2-(Methylamino)-1-(1-methylcyclohexa-2,4-dien-1-yl)propan-1-ol
CID 90881137
[4-Methyl-4-[2-(methylamino)ethyl]cyclohexa-1,5-dien-1-yl]methanol
CID 91242625
2-[1-(Ethylamino)cyclohexa-2,4-dien-1-yl]ethanol
CID 91512978
2-Cyclohexa-2,4-dien-1-yl-2-(methylamino)ethanol
CID 129208269
(3R)-3-[[(1S)-1-methylcyclohexa-2,4-dien-1-yl]methylamino]butan-1-ol
CID 140710939
1-[[(1S)-1-methylcyclohexa-2,4-dien-1-yl]methylamino]butan-1-ol
CID 140773904
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
2-Ethyl-2-methyl-1-(3-methylpentan-3-ylamino)hex-3-en-1-ol
CID 146521804
[6-[(Tert-butylamino)methyl]-6-(hydroxymethyl)cyclohexa-2,4-dien-1-yl]methanol
CID 152743637

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[1-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [(1R)-1-[1-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol (CID 23615949) is [(1R)-1-[1-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [(1R)-1-[1-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [(1R)-1-[1-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol is CNC(C)[C@]1(CO)C=CC=CC1.
What is the InChIKey of [(1R)-1-[1-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is LCZAFIJHAMPOLW-QVDQXJPCSA-N. The full InChI is InChI=1S/C10H17NO/c1-9(11-2)10(8-12)6-4-3-5-7-10/h3-6,9,11-12H,7-8H2,1-2H3/t9?,10-/m1/s1.
What are the key properties of [(1R)-1-[1-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol?
[(1R)-1-[1-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 167.25 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[1-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 23615949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).