3,3-dimethyl-4-(4-methylheptyl)morpholine

C14H29NO — CID 130409865

IUPAC3,3-dimethyl-4-(4-methylheptyl)morpholine
SMILESCCCC(C)CCCN1CCOCC1(C)C
InChIInChI=1S/C14H29NO/c1-5-7-13(2)8-6-9-15-10-11-16-12-14(15,3)4/h13H,5-12H2,1-4H3
InChIKeyBLARACFRWSVNLT-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.31
Rot. Bonds6

About 3,3-dimethyl-4-(4-methylheptyl)morpholine

3,3-dimethyl-4-(4-methylheptyl)morpholine (PubChem CID 130409865) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 3,3-dimethyl-4-(4-methylheptyl)morpholine.

Molecular Properties

Compound Name3,3-dimethyl-4-(4-methylheptyl)morpholine
PubChem CID130409865
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name3,3-dimethyl-4-(4-methylheptyl)morpholine
SMILESCCCC(C)CCCN1CCOCC1(C)C
InChIInChI=1S/C14H29NO/c1-5-7-13(2)8-6-9-15-10-11-16-12-14(15,3)4/h13H,5-12H2,1-4H3
InChIKeyBLARACFRWSVNLT-UHFFFAOYSA-N
XLogP3.31
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-4-(4-methylheptyl)morpholine?
The IUPAC name of 3,3-dimethyl-4-(4-methylheptyl)morpholine (CID 130409865) is 3,3-dimethyl-4-(4-methylheptyl)morpholine.
What is the SMILES notation for 3,3-dimethyl-4-(4-methylheptyl)morpholine?
The canonical SMILES for 3,3-dimethyl-4-(4-methylheptyl)morpholine is CCCC(C)CCCN1CCOCC1(C)C.
What is the InChIKey of 3,3-dimethyl-4-(4-methylheptyl)morpholine?
The InChIKey is BLARACFRWSVNLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-5-7-13(2)8-6-9-15-10-11-16-12-14(15,3)4/h13H,5-12H2,1-4H3.
What are the key properties of 3,3-dimethyl-4-(4-methylheptyl)morpholine?
3,3-dimethyl-4-(4-methylheptyl)morpholine has a molecular weight of 227.39 g/mol, XLogP of 3.31, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-4-(4-methylheptyl)morpholine is sourced from PubChem (CID 130409865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).