4-(4-propylheptan-4-yl)morpholine;hydrochloride

C14H30ClNO — CID 3049086

IUPAC4-(4-propylheptan-4-yl)morpholine;hydrochloride
SMILESCCCC(CCC)(CCC)N1CCOCC1.Cl
InChIInChI=1S/C14H29NO.ClH/c1-4-7-14(8-5-2,9-6-3)15-10-12-16-13-11-15;/h4-13H2,1-3H3;1H
InChIKeyRWCVLPHHUUIDQE-UHFFFAOYSA-N
MW263.85 g/mol
LogP3.88
Rot. Bonds7

About 4-(4-propylheptan-4-yl)morpholine;hydrochloride

4-(4-propylheptan-4-yl)morpholine;hydrochloride (PubChem CID 3049086) has the molecular formula C14H30ClNO and a molecular weight of 263.85 g/mol. Its IUPAC name is 4-(4-propylheptan-4-yl)morpholine;hydrochloride.

Molecular Properties

Compound Name4-(4-propylheptan-4-yl)morpholine;hydrochloride
PubChem CID3049086
Molecular FormulaC14H30ClNO
Molecular Weight263.85 g/mol
Exact Mass263.20
IUPAC Name4-(4-propylheptan-4-yl)morpholine;hydrochloride
SMILESCCCC(CCC)(CCC)N1CCOCC1.Cl
InChIInChI=1S/C14H29NO.ClH/c1-4-7-14(8-5-2,9-6-3)15-10-12-16-13-11-15;/h4-13H2,1-3H3;1H
InChIKeyRWCVLPHHUUIDQE-UHFFFAOYSA-N
XLogP3.88
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.85
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propylheptan-4-yl)morpholine;hydrochloride?
The IUPAC name of 4-(4-propylheptan-4-yl)morpholine;hydrochloride (CID 3049086) is 4-(4-propylheptan-4-yl)morpholine;hydrochloride.
What is the SMILES notation for 4-(4-propylheptan-4-yl)morpholine;hydrochloride?
The canonical SMILES for 4-(4-propylheptan-4-yl)morpholine;hydrochloride is CCCC(CCC)(CCC)N1CCOCC1.Cl.
What is the InChIKey of 4-(4-propylheptan-4-yl)morpholine;hydrochloride?
The InChIKey is RWCVLPHHUUIDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO.ClH/c1-4-7-14(8-5-2,9-6-3)15-10-12-16-13-11-15;/h4-13H2,1-3H3;1H.
What are the key properties of 4-(4-propylheptan-4-yl)morpholine;hydrochloride?
4-(4-propylheptan-4-yl)morpholine;hydrochloride has a molecular weight of 263.85 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propylheptan-4-yl)morpholine;hydrochloride is sourced from PubChem (CID 3049086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).