4-(3,6-dimethylcyclohexen-1-yl)morpholine

C12H21NO — CID 121011898

IUPAC4-(3,6-dimethylcyclohexen-1-yl)morpholine
SMILESCC1C=C(N2CCOCC2)C(C)CC1
InChIInChI=1S/C12H21NO/c1-10-3-4-11(2)12(9-10)13-5-7-14-8-6-13/h9-11H,3-8H2,1-2H3
InChIKeyMZKSZNZMQBYTII-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.27
Rot. Bonds1

About 4-(3,6-dimethylcyclohexen-1-yl)morpholine

4-(3,6-dimethylcyclohexen-1-yl)morpholine (PubChem CID 121011898) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(3,6-dimethylcyclohexen-1-yl)morpholine.

Molecular Properties

Compound Name4-(3,6-dimethylcyclohexen-1-yl)morpholine
PubChem CID121011898
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(3,6-dimethylcyclohexen-1-yl)morpholine
SMILESCC1C=C(N2CCOCC2)C(C)CC1
InChIInChI=1S/C12H21NO/c1-10-3-4-11(2)12(9-10)13-5-7-14-8-6-13/h9-11H,3-8H2,1-2H3
InChIKeyMZKSZNZMQBYTII-UHFFFAOYSA-N
XLogP2.27
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-chloro-4-methylcyclohexa-1,5-dien-1-yl)morpholine
CID 163583531
6-methyl-5-morpholin-4-yl-3,6-dihydro-2H-thiopyran 1,1-dioxide
CID 13115077
2,3,6,6-tetramethyl-5-morpholin-4-yl-2,3-dihydro-1,4-oxazine
CID 156547724
(3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one
CID 161185733
(3S)-1-(3-methyl-5-morpholin-4-ylcyclohexa-1,5-dien-1-yl)pyrrolidin-3-ol
CID 71067414
4-[4-[(1S,2S)-2-methylcyclopropyl]phenyl]morpholine
CID 166443931
4-morpholin-4-ylbicyclo[3.3.1]non-3-en-2-one
CID 584879
4-[5-(4-methylpiperidin-1-yl)-1,2,4-triazin-3-yl]morpholine
CID 30298653
4-(3-methyl-6-nitrocyclohexa-1,5-dien-1-yl)morpholine
CID 151724055
4-[(1S)-6-chloro-1-methyl-2,3-dihydro-1H-inden-5-yl]morpholine
CID 59218727
1-(4-morpholin-4-ylphenyl)piperidin-4-amine
CID 63180022
4-(6-chlorocyclohexa-1,4-dien-1-yl)morpholine
CID 90722362

Frequently Asked Questions

What is the IUPAC name of 4-(3,6-dimethylcyclohexen-1-yl)morpholine?
The IUPAC name of 4-(3,6-dimethylcyclohexen-1-yl)morpholine (CID 121011898) is 4-(3,6-dimethylcyclohexen-1-yl)morpholine.
What is the SMILES notation for 4-(3,6-dimethylcyclohexen-1-yl)morpholine?
The canonical SMILES for 4-(3,6-dimethylcyclohexen-1-yl)morpholine is CC1C=C(N2CCOCC2)C(C)CC1.
What is the InChIKey of 4-(3,6-dimethylcyclohexen-1-yl)morpholine?
The InChIKey is MZKSZNZMQBYTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-3-4-11(2)12(9-10)13-5-7-14-8-6-13/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-(3,6-dimethylcyclohexen-1-yl)morpholine?
4-(3,6-dimethylcyclohexen-1-yl)morpholine has a molecular weight of 195.31 g/mol, XLogP of 2.27, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,6-dimethylcyclohexen-1-yl)morpholine is sourced from PubChem (CID 121011898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).