4-[(2S)-3-methylheptan-2-yl]morpholine

C12H25NO — CID 121401058

IUPAC4-[(2S)-3-methylheptan-2-yl]morpholine
SMILESCCCCC(C)[C@H](C)N1CCOCC1
InChIInChI=1S/C12H25NO/c1-4-5-6-11(2)12(3)13-7-9-14-10-8-13/h11-12H,4-10H2,1-3H3/t11?,12-/m0/s1
InChIKeyGXJOSXZXNIOIEC-KIYNQFGBSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds5

About 4-[(2S)-3-methylheptan-2-yl]morpholine

4-[(2S)-3-methylheptan-2-yl]morpholine (PubChem CID 121401058) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-[(2S)-3-methylheptan-2-yl]morpholine.

Molecular Properties

Compound Name4-[(2S)-3-methylheptan-2-yl]morpholine
PubChem CID121401058
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-[(2S)-3-methylheptan-2-yl]morpholine
SMILESCCCCC(C)[C@H](C)N1CCOCC1
InChIInChI=1S/C12H25NO/c1-4-5-6-11(2)12(3)13-7-9-14-10-8-13/h11-12H,4-10H2,1-3H3/t11?,12-/m0/s1
InChIKeyGXJOSXZXNIOIEC-KIYNQFGBSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-3-methylheptan-2-yl]morpholine?
The IUPAC name of 4-[(2S)-3-methylheptan-2-yl]morpholine (CID 121401058) is 4-[(2S)-3-methylheptan-2-yl]morpholine.
What is the SMILES notation for 4-[(2S)-3-methylheptan-2-yl]morpholine?
The canonical SMILES for 4-[(2S)-3-methylheptan-2-yl]morpholine is CCCCC(C)[C@H](C)N1CCOCC1.
What is the InChIKey of 4-[(2S)-3-methylheptan-2-yl]morpholine?
The InChIKey is GXJOSXZXNIOIEC-KIYNQFGBSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-5-6-11(2)12(3)13-7-9-14-10-8-13/h11-12H,4-10H2,1-3H3/t11?,12-/m0/s1.
What are the key properties of 4-[(2S)-3-methylheptan-2-yl]morpholine?
4-[(2S)-3-methylheptan-2-yl]morpholine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-3-methylheptan-2-yl]morpholine is sourced from PubChem (CID 121401058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).