1-(cyclohexa-1,5-dien-1-ylamino)-2-methylpropan-2-ol

C10H17NO — CID 175763250

IUPAC1-(cyclohexa-1,5-dien-1-ylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNC1=CCCC=C1
InChIInChI=1S/C10H17NO/c1-10(2,12)8-11-9-6-4-3-5-7-9/h4,6-7,11-12H,3,5,8H2,1-2H3
InChIKeyPLCGSAQZSJOSGC-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.58
Rot. Bonds3

About 1-(cyclohexa-1,5-dien-1-ylamino)-2-methylpropan-2-ol

1-(cyclohexa-1,5-dien-1-ylamino)-2-methylpropan-2-ol (PubChem CID 175763250) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(cyclohexa-1,5-dien-1-ylamino)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(cyclohexa-1,5-dien-1-ylamino)-2-methylpropan-2-ol
PubChem CID175763250
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(cyclohexa-1,5-dien-1-ylamino)-2-methylpropan-2-ol
SMILESCC(C)(O)CNC1=CCCC=C1
InChIInChI=1S/C10H17NO/c1-10(2,12)8-11-9-6-4-3-5-7-9/h4,6-7,11-12H,3,5,8H2,1-2H3
InChIKeyPLCGSAQZSJOSGC-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3Z)-3-[(E)-3-fluoroprop-2-enylidene]-2-methyl-6-methylidene-1,2-dihydropyridin-5-ol
CID 163954247
2-(6-Methyl-1,2-dihydropyridin-2-yl)propan-2-ol
CID 90247451
2-[[(4Z)-6-(methylamino)-3-methylidenehepta-1,4,6-trien-2-yl]amino]ethanol
CID 117614804
Ethane;2-methyl-1-[(5-methyl-1,2-dihydropyridin-3-yl)amino]propan-2-ol
CID 142345182
1-[(1,5-dimethyl-2H-pyridin-3-yl)amino]-2-methylpropan-2-ol;ethane
CID 142345337
2-[(4-Methylcyclohexa-1,5-dien-1-yl)amino]ethanol
CID 144873837
2-(1,2-Dihydropyridin-2-yl)propan-2-ol
CID 148824024
2-(4-Ethyl-1,2-dihydropyridin-2-yl)propan-2-ol
CID 155201098
Ethane;2-(4-ethyl-1,2-dihydropyridin-2-yl)propan-2-ol
CID 155709660
3-[[(4Z,6Z)-3-methylideneocta-1,4,6-trien-2-yl]amino]prop-1-en-2-ol
CID 169612208
(2R)-1-[[3-(methylamino)benzene-2-id-1-yl]methylamino]propan-2-ol;uranium
CID 171815797
2-(1,2-Dihydropyridin-6-yl)propan-2-ol
CID 173513641

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexa-1,5-dien-1-ylamino)-2-methylpropan-2-ol?
The IUPAC name of 1-(cyclohexa-1,5-dien-1-ylamino)-2-methylpropan-2-ol (CID 175763250) is 1-(cyclohexa-1,5-dien-1-ylamino)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(cyclohexa-1,5-dien-1-ylamino)-2-methylpropan-2-ol?
The canonical SMILES for 1-(cyclohexa-1,5-dien-1-ylamino)-2-methylpropan-2-ol is CC(C)(O)CNC1=CCCC=C1.
What is the InChIKey of 1-(cyclohexa-1,5-dien-1-ylamino)-2-methylpropan-2-ol?
The InChIKey is PLCGSAQZSJOSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2,12)8-11-9-6-4-3-5-7-9/h4,6-7,11-12H,3,5,8H2,1-2H3.
What are the key properties of 1-(cyclohexa-1,5-dien-1-ylamino)-2-methylpropan-2-ol?
1-(cyclohexa-1,5-dien-1-ylamino)-2-methylpropan-2-ol has a molecular weight of 167.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexa-1,5-dien-1-ylamino)-2-methylpropan-2-ol is sourced from PubChem (CID 175763250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).