5-methoxy-N,2,2,5-tetramethylhexan-3-amine

C11H25NO — CID 103027040

IUPAC5-methoxy-N,2,2,5-tetramethylhexan-3-amine
SMILESCNC(CC(C)(C)OC)C(C)(C)C
InChIInChI=1S/C11H25NO/c1-10(2,3)9(12-6)8-11(4,5)13-7/h9,12H,8H2,1-7H3
InChIKeyZZGSVDLWJLHWOQ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds4

About 5-methoxy-N,2,2,5-tetramethylhexan-3-amine

5-methoxy-N,2,2,5-tetramethylhexan-3-amine (PubChem CID 103027040) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 5-methoxy-N,2,2,5-tetramethylhexan-3-amine.

Molecular Properties

Compound Name5-methoxy-N,2,2,5-tetramethylhexan-3-amine
PubChem CID103027040
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name5-methoxy-N,2,2,5-tetramethylhexan-3-amine
SMILESCNC(CC(C)(C)OC)C(C)(C)C
InChIInChI=1S/C11H25NO/c1-10(2,3)9(12-6)8-11(4,5)13-7/h9,12H,8H2,1-7H3
InChIKeyZZGSVDLWJLHWOQ-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N,2,2,5-tetramethylhexan-3-amine?
The IUPAC name of 5-methoxy-N,2,2,5-tetramethylhexan-3-amine (CID 103027040) is 5-methoxy-N,2,2,5-tetramethylhexan-3-amine.
What is the SMILES notation for 5-methoxy-N,2,2,5-tetramethylhexan-3-amine?
The canonical SMILES for 5-methoxy-N,2,2,5-tetramethylhexan-3-amine is CNC(CC(C)(C)OC)C(C)(C)C.
What is the InChIKey of 5-methoxy-N,2,2,5-tetramethylhexan-3-amine?
The InChIKey is ZZGSVDLWJLHWOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-10(2,3)9(12-6)8-11(4,5)13-7/h9,12H,8H2,1-7H3.
What are the key properties of 5-methoxy-N,2,2,5-tetramethylhexan-3-amine?
5-methoxy-N,2,2,5-tetramethylhexan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N,2,2,5-tetramethylhexan-3-amine is sourced from PubChem (CID 103027040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).