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

C10H17NO — CID 171060547

IUPAC[1-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol
SMILESCNCCC1(CO)C=CC=CC1
InChIInChI=1S/C10H17NO/c1-11-8-7-10(9-12)5-3-2-4-6-10/h2-5,11-12H,6-9H2,1H3
InChIKeyVSCMFAAJKSWHKN-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.09
Rot. Bonds4

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

[1-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol (PubChem CID 171060547) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is [1-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol.

Molecular Properties

Compound Name[1-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol
PubChem CID171060547
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name[1-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol
SMILESCNCCC1(CO)C=CC=CC1
InChIInChI=1S/C10H17NO/c1-11-8-7-10(9-12)5-3-2-4-6-10/h2-5,11-12H,6-9H2,1H3
InChIKeyVSCMFAAJKSWHKN-UHFFFAOYSA-N
XLogP1.09
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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

4-[[(1S)-cyclohex-3-en-1-yl]methylamino]-3,3-dimethylbutan-1-ol
CID 97240121
[4-[(3Z,5Z)-3-fluorohepta-1,3,5-trien-4-yl]piperidin-4-yl]methanol
CID 142015032
[4-[(3Z)-4-fluorohexa-1,3,5-trien-3-yl]piperidin-4-yl]methanol
CID 142015597
[(1R)-1-methylcyclohexa-2,4-dien-1-yl]-piperidin-4-ylmethanol
CID 70634236
(1S)-1-cyclohexa-2,4-dien-1-yl-2-(methylamino)ethanol
CID 89001496
(2,3,3-Trimethyl-1,2,6,7-tetrahydroindol-6-yl)methanol
CID 89133248
1-[4-(Methylaminomethyl)cyclohexa-1,5-dien-1-yl]propan-2-ol
CID 90711183
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
(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
(3R,5Z,7Z)-1,3-dimethyl-3-[2-(methylamino)ethyl]-4,9-dihydro-2H-azonin-2-ol;ethene
CID 141948056

Frequently Asked Questions

What is the IUPAC name of [1-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol?
The IUPAC name of [1-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol (CID 171060547) is [1-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol.
What is the SMILES notation for [1-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol?
The canonical SMILES for [1-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol is CNCCC1(CO)C=CC=CC1.
What is the InChIKey of [1-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol?
The InChIKey is VSCMFAAJKSWHKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-11-8-7-10(9-12)5-3-2-4-6-10/h2-5,11-12H,6-9H2,1H3.
What are the key properties of [1-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol?
[1-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol has a molecular weight of 167.25 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(methylamino)ethyl]cyclohexa-2,4-dien-1-yl]methanol is sourced from PubChem (CID 171060547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).