4-(4-propylheptan-4-yl)morpholine

C14H29NO — CID 3049087

IUPAC4-(4-propylheptan-4-yl)morpholine
SMILESCCCC(CCC)(CCC)N1CCOCC1
InChIInChI=1S/C14H29NO/c1-4-7-14(8-5-2,9-6-3)15-10-12-16-13-11-15/h4-13H2,1-3H3
InChIKeySSBCFULQQBTATN-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.46
Rot. Bonds7

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

4-(4-propylheptan-4-yl)morpholine (PubChem CID 3049087) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 4-(4-propylheptan-4-yl)morpholine.

Molecular Properties

Compound Name4-(4-propylheptan-4-yl)morpholine
PubChem CID3049087
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name4-(4-propylheptan-4-yl)morpholine
SMILESCCCC(CCC)(CCC)N1CCOCC1
InChIInChI=1S/C14H29NO/c1-4-7-14(8-5-2,9-6-3)15-10-12-16-13-11-15/h4-13H2,1-3H3
InChIKeySSBCFULQQBTATN-UHFFFAOYSA-N
XLogP3.46
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Morpholine, 4-(1,1-dipropylbutyl)-, hydrochloride
CID 3049086
4-(Cyclohexylmethyl)morpholine
CID 641545
4-(4-Methylcyclohexyl)morpholine
CID 870789
4-(2-Methyloctyl)morpholine
CID 15317280
4-(3,4-Dimethylpentyl)morpholine
CID 15370628
4-Heptan-4-ylmorpholine
CID 3287626
4-(2-Methylhexyl)morpholine
CID 102491214
4-(3-Ethylpentan-3-yl)morpholine
CID 15939277
4-(2-Ethylhexyl)morpholine
CID 250521
4-(4-Methylpentan-2-yl)morpholine
CID 13398802
CID 58998185
CID 58998185
4-(4,4-Difluoro-1-methylcyclohexyl)morpholine
CID 134562135

Frequently Asked Questions

What is the IUPAC name of 4-(4-propylheptan-4-yl)morpholine?
The IUPAC name of 4-(4-propylheptan-4-yl)morpholine (CID 3049087) is 4-(4-propylheptan-4-yl)morpholine.
What is the SMILES notation for 4-(4-propylheptan-4-yl)morpholine?
The canonical SMILES for 4-(4-propylheptan-4-yl)morpholine is CCCC(CCC)(CCC)N1CCOCC1.
What is the InChIKey of 4-(4-propylheptan-4-yl)morpholine?
The InChIKey is SSBCFULQQBTATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-4-7-14(8-5-2,9-6-3)15-10-12-16-13-11-15/h4-13H2,1-3H3.
What are the key properties of 4-(4-propylheptan-4-yl)morpholine?
4-(4-propylheptan-4-yl)morpholine has a molecular weight of 227.39 g/mol, XLogP of 3.46, 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 is sourced from PubChem (CID 3049087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).