(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine

C13H27NO — CID 161175783

IUPAC(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
SMILESCC(C)CC[C@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C13H27NO/c1-11(2)5-6-13-10-14(7-8-15-13)9-12(3)4/h11-13H,5-10H2,1-4H3/t13-/m0/s1
InChIKeyURUCZIJAOBDESK-ZDUSSCGKSA-N
MW213.37 g/mol
LogP2.78
Rot. Bonds5

About (2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine

(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine (PubChem CID 161175783) has the molecular formula C13H27NO and a molecular weight of 213.37 g/mol. Its IUPAC name is (2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
PubChem CID161175783
Molecular FormulaC13H27NO
Molecular Weight213.37 g/mol
Exact Mass213.21
IUPAC Name(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine
SMILESCC(C)CC[C@H]1CN(CC(C)C)CCO1
InChIInChI=1S/C13H27NO/c1-11(2)5-6-13-10-14(7-8-15-13)9-12(3)4/h11-13H,5-10H2,1-4H3/t13-/m0/s1
InChIKeyURUCZIJAOBDESK-ZDUSSCGKSA-N
XLogP2.78
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-1-[4-(2-methylpropyl)morpholin-2-yl]methanamine
CID 123749859
4-methyl-2-(3-methylbutyl)morpholine
CID 59613546
N-[2-[(2R)-4-(2-methylpropyl)morpholin-2-yl]ethyl]prop-1-en-2-amine
CID 155448674
[4-[[4-(2-methylpropyl)morpholin-2-yl]methyl]morpholin-2-yl]methanamine
CID 114398613
(2R)-2,4-bis(4-methylpentyl)morpholine
CID 149421762
2-[(3,5-dimethylpiperazin-1-yl)methyl]-4-(2-methylpropyl)morpholine
CID 63871997
2-[[4-(2-methylpropyl)morpholin-2-yl]methylsulfanyl]propan-1-amine
CID 66218624
ethane;2-methyl-4-(2-methylpropyl)morpholine
CID 156652353
[4-(2-methylpropyl)-1,4-oxazepan-2-yl]methanamine
CID 131115606
1-[1-[[4-(2-methylpropyl)morpholin-2-yl]methyl]piperidin-4-yl]ethanamine
CID 63595361
2-[methyl-[[4-(2-methylpropyl)morpholin-2-yl]methyl]amino]propan-1-ol
CID 112689933
(2R)-2-[[4-(2-methylpropyl)morpholin-2-yl]methoxy]propanoic acid
CID 104875585

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine?
The IUPAC name of (2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine (CID 161175783) is (2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine.
What is the SMILES notation for (2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine?
The canonical SMILES for (2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine is CC(C)CC[C@H]1CN(CC(C)C)CCO1.
What is the InChIKey of (2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine?
The InChIKey is URUCZIJAOBDESK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H27NO/c1-11(2)5-6-13-10-14(7-8-15-13)9-12(3)4/h11-13H,5-10H2,1-4H3/t13-/m0/s1.
What are the key properties of (2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine?
(2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine has a molecular weight of 213.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3-methylbutyl)-4-(2-methylpropyl)morpholine is sourced from PubChem (CID 161175783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).