[[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]-morpholin-4-ylmethanol

C12H21N3O2 — CID 142969707

IUPAC[[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]-morpholin-4-ylmethanol
SMILESCNC1=CCC(NC(O)N2CCOCC2)C=C1
InChIInChI=1S/C12H21N3O2/c1-13-10-2-4-11(5-3-10)14-12(16)15-6-8-17-9-7-15/h2-4,11-14,16H,5-9H2,1H3
InChIKeyLHFAIPUNFIVEKD-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.38
Rot. Bonds4

About [[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]-morpholin-4-ylmethanol

[[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]-morpholin-4-ylmethanol (PubChem CID 142969707) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is [[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]-morpholin-4-ylmethanol.

Molecular Properties

Compound Name[[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]-morpholin-4-ylmethanol
PubChem CID142969707
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name[[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]-morpholin-4-ylmethanol
SMILESCNC1=CCC(NC(O)N2CCOCC2)C=C1
InChIInChI=1S/C12H21N3O2/c1-13-10-2-4-11(5-3-10)14-12(16)15-6-8-17-9-7-15/h2-4,11-14,16H,5-9H2,1H3
InChIKeyLHFAIPUNFIVEKD-UHFFFAOYSA-N
XLogP-0.38
TPSA56.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine
CID 145000877
(1S,2S)-1-(4-chlorophenyl)-2-morpholin-4-ylpropan-1-ol
CID 177420176
4-(1-hydroxy-2-morpholin-4-ylpropyl)benzene-1,2-diol
CID 11971899
1,1-dimorpholin-4-ylpropan-2-ol
CID 141196639
[4-[4-(methylaminomethyl)piperidin-1-yl]sulfonylphenyl]-morpholin-4-ylmethanone;hydrochloride
CID 119978011
N-methyl-2H-pyran-4-amine
CID 69002805
4-(3-morpholin-4-ylbutyl)phenol
CID 2846721
2-(methylamino)-5-morpholin-4-ylsulfonylphenol
CID 42647844
ethane;2-morpholin-4-ylpropan-1-ol
CID 142923575
[(1R,4S)-4-[(1-morpholin-4-yl-1-phenylpropan-2-yl)amino]cyclopent-2-en-1-yl]methanol
CID 86814994
4-[1-(4-bromophenoxy)ethyl]morpholine
CID 18446587
(2R)-2-(2-fluorophenyl)-1-[(3S)-3-(methylaminomethyl)pyrrolidin-1-yl]-2-morpholin-4-ylethanone
CID 124612695

Frequently Asked Questions

What is the IUPAC name of [[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]-morpholin-4-ylmethanol?
The IUPAC name of [[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]-morpholin-4-ylmethanol (CID 142969707) is [[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]-morpholin-4-ylmethanol.
What is the SMILES notation for [[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]-morpholin-4-ylmethanol?
The canonical SMILES for [[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]-morpholin-4-ylmethanol is CNC1=CCC(NC(O)N2CCOCC2)C=C1.
What is the InChIKey of [[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]-morpholin-4-ylmethanol?
The InChIKey is LHFAIPUNFIVEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-13-10-2-4-11(5-3-10)14-12(16)15-6-8-17-9-7-15/h2-4,11-14,16H,5-9H2,1H3.
What are the key properties of [[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]-morpholin-4-ylmethanol?
[[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]-morpholin-4-ylmethanol has a molecular weight of 239.32 g/mol, XLogP of -0.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [[4-(methylamino)cyclohexa-2,4-dien-1-yl]amino]-morpholin-4-ylmethanol is sourced from PubChem (CID 142969707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).