4-[1-(3-propylhexyl)azetidin-3-yl]morpholine

C16H32N2O — CID 123255382

IUPAC4-[1-(3-propylhexyl)azetidin-3-yl]morpholine
SMILESCCCC(CCC)CCN1CC(N2CCOCC2)C1
InChIInChI=1S/C16H32N2O/c1-3-5-15(6-4-2)7-8-17-13-16(14-17)18-9-11-19-12-10-18/h15-16H,3-14H2,1-2H3
InChIKeyPRRADSTWHMCTCE-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.61
Rot. Bonds8

About 4-[1-(3-propylhexyl)azetidin-3-yl]morpholine

4-[1-(3-propylhexyl)azetidin-3-yl]morpholine (PubChem CID 123255382) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-[1-(3-propylhexyl)azetidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(3-propylhexyl)azetidin-3-yl]morpholine
PubChem CID123255382
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name4-[1-(3-propylhexyl)azetidin-3-yl]morpholine
SMILESCCCC(CCC)CCN1CC(N2CCOCC2)C1
InChIInChI=1S/C16H32N2O/c1-3-5-15(6-4-2)7-8-17-13-16(14-17)18-9-11-19-12-10-18/h15-16H,3-14H2,1-2H3
InChIKeyPRRADSTWHMCTCE-UHFFFAOYSA-N
XLogP2.61
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-Methylheptan-3-yl)morpholine
CID 68015281
4-[(3R)-5-methylheptan-3-yl]morpholine
CID 89263918
4-(2-Methylpropyl)-1-(oxetan-3-yl)piperidine
CID 118544244
4-[(2S)-3-methylheptan-2-yl]morpholine
CID 121401058
5-Ethyl-2-methyl-1-(oxetan-3-yl)piperidine
CID 122432525
(3S)-3-ethyl-1-(oxetan-3-yl)piperidine
CID 122545630
1-(3-Methylpentyl)-4-(oxetan-3-yl)piperazine
CID 126577556
3-Ethyl-1-(oxetan-3-yl)piperidine
CID 126995584
4-[1-(1-Propan-2-ylazepan-4-yl)propan-2-yl]morpholine
CID 129259368
1-(3-Methyloxetan-3-yl)-4-(2,3,4-trimethylpentan-2-yl)piperazine
CID 129289125
N-butyl-N-(2-methoxyethyl)-4-methyl-2-piperidin-1-ylpentan-1-amine
CID 130469997
4-(2-Methylbutyl)-1-(oxetan-3-yl)piperidine
CID 132062055

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-propylhexyl)azetidin-3-yl]morpholine?
The IUPAC name of 4-[1-(3-propylhexyl)azetidin-3-yl]morpholine (CID 123255382) is 4-[1-(3-propylhexyl)azetidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(3-propylhexyl)azetidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(3-propylhexyl)azetidin-3-yl]morpholine is CCCC(CCC)CCN1CC(N2CCOCC2)C1.
What is the InChIKey of 4-[1-(3-propylhexyl)azetidin-3-yl]morpholine?
The InChIKey is PRRADSTWHMCTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-3-5-15(6-4-2)7-8-17-13-16(14-17)18-9-11-19-12-10-18/h15-16H,3-14H2,1-2H3.
What are the key properties of 4-[1-(3-propylhexyl)azetidin-3-yl]morpholine?
4-[1-(3-propylhexyl)azetidin-3-yl]morpholine has a molecular weight of 268.44 g/mol, XLogP of 2.61, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-propylhexyl)azetidin-3-yl]morpholine is sourced from PubChem (CID 123255382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).