4-(4,4-dimethylhexan-2-yl)morpholine

C12H25NO — CID 134476913

IUPAC4-(4,4-dimethylhexan-2-yl)morpholine
SMILESCCC(C)(C)CC(C)N1CCOCC1
InChIInChI=1S/C12H25NO/c1-5-12(3,4)10-11(2)13-6-8-14-9-7-13/h11H,5-10H2,1-4H3
InChIKeyZFSRRDFBFCKSEU-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.53
Rot. Bonds4

About 4-(4,4-dimethylhexan-2-yl)morpholine

4-(4,4-dimethylhexan-2-yl)morpholine (PubChem CID 134476913) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 4-(4,4-dimethylhexan-2-yl)morpholine.

Molecular Properties

Compound Name4-(4,4-dimethylhexan-2-yl)morpholine
PubChem CID134476913
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name4-(4,4-dimethylhexan-2-yl)morpholine
SMILESCCC(C)(C)CC(C)N1CCOCC1
InChIInChI=1S/C12H25NO/c1-5-12(3,4)10-11(2)13-6-8-14-9-7-13/h11H,5-10H2,1-4H3
InChIKeyZFSRRDFBFCKSEU-UHFFFAOYSA-N
XLogP2.53
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
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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Related Compounds

2-methyl-N-(2-morpholin-4-ylpropyl)butan-2-amine
CID 62556601
4-[(2S)-hexan-2-yl]morpholine
CID 124506548
4-[(2R)-1-morpholin-4-ylpropan-2-yl]morpholine
CID 28775628
4-(1-propan-2-yloxypropan-2-yl)morpholine
CID 164739188
ethane;2-morpholin-4-ylpropan-1-ol
CID 142923575
4-[(3R)-5,5-dimethylhexan-3-yl]morpholine
CID 166869607
4-(2,2,4,4-tetramethylpentan-3-yl)morpholine
CID 57301157
N-ethyl-4-morpholin-4-ylpentan-2-amine
CID 64706123
4-(1-methylsulfinylpropan-2-yl)morpholine
CID 173186907
triethoxy(2-morpholin-4-ylpropyl)silane
CID 140830940
3-methyl-N-(2-morpholin-4-ylpropyl)pentan-2-amine
CID 115708392
4-pentan-3-ylmorpholine
CID 641553

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-dimethylhexan-2-yl)morpholine?
The IUPAC name of 4-(4,4-dimethylhexan-2-yl)morpholine (CID 134476913) is 4-(4,4-dimethylhexan-2-yl)morpholine.
What is the SMILES notation for 4-(4,4-dimethylhexan-2-yl)morpholine?
The canonical SMILES for 4-(4,4-dimethylhexan-2-yl)morpholine is CCC(C)(C)CC(C)N1CCOCC1.
What is the InChIKey of 4-(4,4-dimethylhexan-2-yl)morpholine?
The InChIKey is ZFSRRDFBFCKSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-12(3,4)10-11(2)13-6-8-14-9-7-13/h11H,5-10H2,1-4H3.
What are the key properties of 4-(4,4-dimethylhexan-2-yl)morpholine?
4-(4,4-dimethylhexan-2-yl)morpholine has a molecular weight of 199.34 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-dimethylhexan-2-yl)morpholine is sourced from PubChem (CID 134476913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).