(4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine

C11H18N2O — CID 163525167

IUPAC(4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine
SMILESCC1=CC(N)=CC[C@@H]1N1CCOCC1
InChIInChI=1S/C11H18N2O/c1-9-8-10(12)2-3-11(9)13-4-6-14-7-5-13/h2,8,11H,3-7,12H2,1H3/t11-/m0/s1
InChIKeyDOCWFNFBVKLXPD-NSHDSACASA-N
MW194.28 g/mol
LogP0.88
Rot. Bonds1

About (4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine

(4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine (PubChem CID 163525167) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine.

Molecular Properties

Compound Name(4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine
PubChem CID163525167
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine
SMILESCC1=CC(N)=CC[C@@H]1N1CCOCC1
InChIInChI=1S/C11H18N2O/c1-9-8-10(12)2-3-11(9)13-4-6-14-7-5-13/h2,8,11H,3-7,12H2,1H3/t11-/m0/s1
InChIKeyDOCWFNFBVKLXPD-NSHDSACASA-N
XLogP0.88
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine with MolForge

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Related Compounds

1-Methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-amine
CID 68805837
4-(3-Fluoro-2,6-dimethylmorpholin-4-yl)cyclohexa-2,4-dien-1-amine
CID 70892383
4-(2,6-Dimethylmorpholin-4-yl)-6-fluorocyclohexa-1,5-dien-1-amine
CID 70892539
4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorocyclohexa-2,4-dien-1-amine
CID 70892619
4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-5-fluorocyclohexa-1,5-dien-1-amine
CID 71034450
4-(3-Cyclohexylideneprop-1-en-2-yl)morpholine
CID 12140451
[1-Methyl-4-morpholin-4-yl-2-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]azanide
CID 158358218
Morpholine, 4-(3-methyl-1-propylidene-2-hexenyl)-
CID 5374728
4-(3,4-Dimethylcyclohexa-1,3-dien-1-yl)morpholine
CID 12794202
4-(4-Methylcyclohexa-1,3-dien-1-yl)morpholine
CID 13023797
5-Methyl-5-morpholin-4-ylcyclohexa-1,3-dien-1-amine
CID 19754038
2-Methylphosphanyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine
CID 67208578

Frequently Asked Questions

What is the IUPAC name of (4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine?
The IUPAC name of (4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine (CID 163525167) is (4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine.
What is the SMILES notation for (4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine?
The canonical SMILES for (4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine is CC1=CC(N)=CC[C@@H]1N1CCOCC1.
What is the InChIKey of (4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine?
The InChIKey is DOCWFNFBVKLXPD-NSHDSACASA-N. The full InChI is InChI=1S/C11H18N2O/c1-9-8-10(12)2-3-11(9)13-4-6-14-7-5-13/h2,8,11H,3-7,12H2,1H3/t11-/m0/s1.
What are the key properties of (4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine?
(4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine has a molecular weight of 194.28 g/mol, XLogP of 0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-methyl-4-morpholin-4-ylcyclohexa-1,5-dien-1-amine is sourced from PubChem (CID 163525167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).