(2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine

C11H25NO — CID 29013904

IUPAC(2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine
SMILESCOC(C)(C)C[C@@H](C)NCC(C)C
InChIInChI=1S/C11H25NO/c1-9(2)8-12-10(3)7-11(4,5)13-6/h9-10,12H,7-8H2,1-6H3/t10-/m1/s1
InChIKeyMRSIFLPCEVOHRU-SNVBAGLBSA-N
MW187.33 g/mol
LogP2.44
Rot. Bonds6

About (2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine

(2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine (PubChem CID 29013904) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine.

Molecular Properties

Compound Name(2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine
PubChem CID29013904
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine
SMILESCOC(C)(C)C[C@@H](C)NCC(C)C
InChIInChI=1S/C11H25NO/c1-9(2)8-12-10(3)7-11(4,5)13-6/h9-10,12H,7-8H2,1-6H3/t10-/m1/s1
InChIKeyMRSIFLPCEVOHRU-SNVBAGLBSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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 (2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine?
The IUPAC name of (2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine (CID 29013904) is (2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine.
What is the SMILES notation for (2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine?
The canonical SMILES for (2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine is COC(C)(C)C[C@@H](C)NCC(C)C.
What is the InChIKey of (2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine?
The InChIKey is MRSIFLPCEVOHRU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H25NO/c1-9(2)8-12-10(3)7-11(4,5)13-6/h9-10,12H,7-8H2,1-6H3/t10-/m1/s1.
What are the key properties of (2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine?
(2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine has a molecular weight of 187.33 g/mol, XLogP of 2.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methoxy-4-methyl-N-(2-methylpropyl)pentan-2-amine is sourced from PubChem (CID 29013904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).