4-pentan-3-ylmorpholine

C9H19NO — CID 641553

IUPAC4-pentan-3-ylmorpholine
SMILESCCC(CC)N1CCOCC1
InChIInChI=1S/C9H19NO/c1-3-9(4-2)10-5-7-11-8-6-10/h9H,3-8H2,1-2H3
InChIKeyCJUBKFWKDGJCHD-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.51
Rot. Bonds3

About 4-pentan-3-ylmorpholine

4-pentan-3-ylmorpholine (PubChem CID 641553) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 4-pentan-3-ylmorpholine.

Molecular Properties

Compound Name4-pentan-3-ylmorpholine
PubChem CID641553
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name4-pentan-3-ylmorpholine
SMILESCCC(CC)N1CCOCC1
InChIInChI=1S/C9H19NO/c1-3-9(4-2)10-5-7-11-8-6-10/h9H,3-8H2,1-2H3
InChIKeyCJUBKFWKDGJCHD-UHFFFAOYSA-N
XLogP1.51
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3R)-5,5-dimethylhexan-3-yl]morpholine
CID 166869607
2-morpholin-4-yl-3-propan-2-yloxypropan-1-amine
CID 119093890
4-(1,3-diethoxypropan-2-yl)morpholine
CID 170856935
4-hexadecan-8-ylmorpholine
CID 126489366
N-(2-methylpropyl)-2-(1,4-oxazepan-4-yl)butan-1-amine
CID 62972860
4,4-dimethyl-2-morpholin-4-ylpentan-1-amine
CID 62951910
3-methoxy-2-(1,4-oxazepan-4-yl)propan-1-amine
CID 103226384
ethane;4-(2-methylpentan-3-yl)morpholine;propane
CID 144553472
4-(4-piperidin-1-ylhexyl)morpholine
CID 91556845
3-ethyl-2-morpholin-4-ylpentanamide
CID 154739613
butane;methane;4-propan-2-ylmorpholine;yttrium
CID 158385716
4-methyl-N-(2-methylpentan-3-yl)-2-morpholin-4-ylpentan-1-amine
CID 43769799

Frequently Asked Questions

What is the IUPAC name of 4-pentan-3-ylmorpholine?
The IUPAC name of 4-pentan-3-ylmorpholine (CID 641553) is 4-pentan-3-ylmorpholine.
What is the SMILES notation for 4-pentan-3-ylmorpholine?
The canonical SMILES for 4-pentan-3-ylmorpholine is CCC(CC)N1CCOCC1.
What is the InChIKey of 4-pentan-3-ylmorpholine?
The InChIKey is CJUBKFWKDGJCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-3-9(4-2)10-5-7-11-8-6-10/h9H,3-8H2,1-2H3.
What are the key properties of 4-pentan-3-ylmorpholine?
4-pentan-3-ylmorpholine has a molecular weight of 157.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pentan-3-ylmorpholine is sourced from PubChem (CID 641553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).