4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine

C12H21NO — CID 121013748

IUPAC4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine
SMILESC=CCC(C)(C)C(=C)N1CCOCC1
InChIInChI=1S/C12H21NO/c1-5-6-12(3,4)11(2)13-7-9-14-10-8-13/h5H,1-2,6-10H2,3-4H3
InChIKeyHZTWABGIYUYDGV-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.43
Rot. Bonds4

About 4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine

4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine (PubChem CID 121013748) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine.

Molecular Properties

Compound Name4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine
PubChem CID121013748
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine
SMILESC=CCC(C)(C)C(=C)N1CCOCC1
InChIInChI=1S/C12H21NO/c1-5-6-12(3,4)11(2)13-7-9-14-10-8-13/h5H,1-2,6-10H2,3-4H3
InChIKeyHZTWABGIYUYDGV-UHFFFAOYSA-N
XLogP2.43
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-2-morpholin-4-yl-1-(4-prop-2-enylsulfanylphenyl)pent-4-en-1-one
CID 66879855
4-prop-2-enylsulfanylmorpholine
CID 134892146
3-ethyl-2,3-dimethyl-1-morpholin-4-ylpent-4-en-1-one
CID 70169361
N-[(1Z)-3-methylbuta-1,3-dienyl]-1-morpholin-4-ylethanimine
CID 170440486
N,N-dimethyl-1-morpholin-4-ylethenamine
CID 142039322
1-morpholin-4-yl-2-[phosphanyl(prop-2-enyl)amino]ethanone
CID 90069008
4-[(3E)-3-ethenyl-2,2,5-trimethylhexa-3,5-dienyl]morpholine;propane
CID 143577434
morpholin-4-yl-(4-prop-2-enyl-1,4-diazepan-1-yl)methanone
CID 23760989
diethyl 2-(morpholin-4-ylmethyl)-2-prop-2-enylpropanedioate
CID 21204648
(E)-2-ethenyl-1-morpholin-4-ylbut-2-en-1-one
CID 10797480
ethane;N-methyl-2-morpholin-4-ylprop-2-en-1-amine
CID 177002503
3-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 64685110

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine?
The IUPAC name of 4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine (CID 121013748) is 4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine.
What is the SMILES notation for 4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine?
The canonical SMILES for 4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine is C=CCC(C)(C)C(=C)N1CCOCC1.
What is the InChIKey of 4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine?
The InChIKey is HZTWABGIYUYDGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-5-6-12(3,4)11(2)13-7-9-14-10-8-13/h5H,1-2,6-10H2,3-4H3.
What are the key properties of 4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine?
4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine has a molecular weight of 195.31 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylhexa-1,5-dien-2-yl)morpholine is sourced from PubChem (CID 121013748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).