ethane;4-(2-methylpentan-3-yl)morpholine;propane

C15H35NO — CID 144553472

IUPACethane;4-(2-methylpentan-3-yl)morpholine;propane
SMILESCC.CCC.CCC(C(C)C)N1CCOCC1
InChIInChI=1S/C10H21NO.C3H8.C2H6/c1-4-10(9(2)3)11-5-7-12-8-6-11;1-3-2;1-2/h9-10H,4-8H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyQSXBEMMLCVPZCU-UHFFFAOYSA-N
MW245.45 g/mol
LogP4.20
Rot. Bonds3

About ethane;4-(2-methylpentan-3-yl)morpholine;propane

ethane;4-(2-methylpentan-3-yl)morpholine;propane (PubChem CID 144553472) has the molecular formula C15H35NO and a molecular weight of 245.45 g/mol. Its IUPAC name is ethane;4-(2-methylpentan-3-yl)morpholine;propane.

Molecular Properties

Compound Nameethane;4-(2-methylpentan-3-yl)morpholine;propane
PubChem CID144553472
Molecular FormulaC15H35NO
Molecular Weight245.45 g/mol
Exact Mass245.27
IUPAC Nameethane;4-(2-methylpentan-3-yl)morpholine;propane
SMILESCC.CCC.CCC(C(C)C)N1CCOCC1
InChIInChI=1S/C10H21NO.C3H8.C2H6/c1-4-10(9(2)3)11-5-7-12-8-6-11;1-3-2;1-2/h9-10H,4-8H2,1-3H3;3H2,1-2H3;1-2H3
InChIKeyQSXBEMMLCVPZCU-UHFFFAOYSA-N
XLogP4.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.45
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-3-methyl-2-morpholin-4-ylbutan-1-amine
CID 51624538
4-pentan-3-ylmorpholine
CID 641553
(2R)-N-[(2R)-3-methyl-2-morpholin-4-ylbutyl]butane-2-sulfonamide
CID 95974504
3-amino-2-morpholin-4-ylpentan-1-ol
CID 104840278
methyl (2S,3S)-2,3-dimorpholin-4-ylpentanoate
CID 101419276
ethane;2-morpholin-4-ylpropan-1-ol
CID 142923575
butane;methane;4-propan-2-ylmorpholine;yttrium
CID 158385716
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-(2-methylpropyl)guanidine;hydroiodide
CID 111179247
ethane;4-(2-methylbutyl)morpholine
CID 142525427
(2R)-3-methyl-2-morpholin-4-ylbutanenitrile
CID 92787269
2-methyl-1-(3-methyl-2-morpholin-4-ylbutyl)-3-propylguanidine
CID 111228645
4-[(1R,3S)-1-ethoxy-4-methyl-1-phenylpentan-3-yl]morpholine
CID 10085673

Frequently Asked Questions

What is the IUPAC name of ethane;4-(2-methylpentan-3-yl)morpholine;propane?
The IUPAC name of ethane;4-(2-methylpentan-3-yl)morpholine;propane (CID 144553472) is ethane;4-(2-methylpentan-3-yl)morpholine;propane.
What is the SMILES notation for ethane;4-(2-methylpentan-3-yl)morpholine;propane?
The canonical SMILES for ethane;4-(2-methylpentan-3-yl)morpholine;propane is CC.CCC.CCC(C(C)C)N1CCOCC1.
What is the InChIKey of ethane;4-(2-methylpentan-3-yl)morpholine;propane?
The InChIKey is QSXBEMMLCVPZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO.C3H8.C2H6/c1-4-10(9(2)3)11-5-7-12-8-6-11;1-3-2;1-2/h9-10H,4-8H2,1-3H3;3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-(2-methylpentan-3-yl)morpholine;propane?
ethane;4-(2-methylpentan-3-yl)morpholine;propane has a molecular weight of 245.45 g/mol, XLogP of 4.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(2-methylpentan-3-yl)morpholine;propane is sourced from PubChem (CID 144553472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).