2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine

C16H33NO — CID 114497556

IUPAC2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine
SMILESCCCCCCCC1(C)CNCC(C)(C(C)C)O1
InChIInChI=1S/C16H33NO/c1-6-7-8-9-10-11-15(4)12-17-13-16(5,18-15)14(2)3/h14,17H,6-13H2,1-5H3
InChIKeyOEUYAQYCGMHKAV-UHFFFAOYSA-N
MW255.45 g/mol
LogP4.14
Rot. Bonds7

About 2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine

2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine (PubChem CID 114497556) has the molecular formula C16H33NO and a molecular weight of 255.45 g/mol. Its IUPAC name is 2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine.

Molecular Properties

Compound Name2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine
PubChem CID114497556
Molecular FormulaC16H33NO
Molecular Weight255.45 g/mol
Exact Mass255.26
IUPAC Name2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine
SMILESCCCCCCCC1(C)CNCC(C)(C(C)C)O1
InChIInChI=1S/C16H33NO/c1-6-7-8-9-10-11-15(4)12-17-13-16(5,18-15)14(2)3/h14,17H,6-13H2,1-5H3
InChIKeyOEUYAQYCGMHKAV-UHFFFAOYSA-N
XLogP4.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,2,6-trimethyl-6-pentylmorpholine
CID 80558946
2-dodecyl-2-methylmorpholine;hydrobromide
CID 173402578
2-icosyl-2-methyloxirane
CID 87753382
2-methyl-2-nonadecyloxirane
CID 87754306
2-hexadecyl-2-methyloxirane
CID 87444144
6-ethyl-2-methyl-2-pentylmorpholine
CID 80558910
2-heptyl-2,3,3-trimethyloxirane
CID 19373807
2-methyl-2-pentyloxirane
CID 559073
2-hexyl-2-propan-2-yloxirane
CID 170634762
3-decyl-3-ethylazetidine
CID 79451957
4,4-dimethyl-2-propan-2-yl-2-undecylimidazolidine
CID 70378397
2-methyl-2-[16-(2-methylmorpholin-2-yl)hexadecyl]morpholine
CID 142640587

Frequently Asked Questions

What is the IUPAC name of 2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine?
The IUPAC name of 2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine (CID 114497556) is 2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine.
What is the SMILES notation for 2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine?
The canonical SMILES for 2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine is CCCCCCCC1(C)CNCC(C)(C(C)C)O1.
What is the InChIKey of 2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine?
The InChIKey is OEUYAQYCGMHKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO/c1-6-7-8-9-10-11-15(4)12-17-13-16(5,18-15)14(2)3/h14,17H,6-13H2,1-5H3.
What are the key properties of 2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine?
2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine has a molecular weight of 255.45 g/mol, XLogP of 4.14, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-2,6-dimethyl-6-propan-2-ylmorpholine is sourced from PubChem (CID 114497556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).