(3R)-4-methoxy-3-methyl-N-[(2R)-2-methylbutyl]butan-1-amine

C11H25NO — CID 163984631

IUPAC(3R)-4-methoxy-3-methyl-N-[(2R)-2-methylbutyl]butan-1-amine
SMILESCC[C@@H](C)CNCC[C@@H](C)COC
InChIInChI=1S/C11H25NO/c1-5-10(2)8-12-7-6-11(3)9-13-4/h10-12H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyTVEKDRYBLAGYSZ-GHMZBOCLSA-N
MW187.33 g/mol
LogP2.29
Rot. Bonds8

About (3R)-4-methoxy-3-methyl-N-[(2R)-2-methylbutyl]butan-1-amine

(3R)-4-methoxy-3-methyl-N-[(2R)-2-methylbutyl]butan-1-amine (PubChem CID 163984631) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (3R)-4-methoxy-3-methyl-N-[(2R)-2-methylbutyl]butan-1-amine.

Molecular Properties

Compound Name(3R)-4-methoxy-3-methyl-N-[(2R)-2-methylbutyl]butan-1-amine
PubChem CID163984631
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(3R)-4-methoxy-3-methyl-N-[(2R)-2-methylbutyl]butan-1-amine
SMILESCC[C@@H](C)CNCC[C@@H](C)COC
InChIInChI=1S/C11H25NO/c1-5-10(2)8-12-7-6-11(3)9-13-4/h10-12H,5-9H2,1-4H3/t10-,11-/m1/s1
InChIKeyTVEKDRYBLAGYSZ-GHMZBOCLSA-N
XLogP2.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-4-methoxy-3-methyl-N-[(2R)-2-methylbutyl]butan-1-amine?
The IUPAC name of (3R)-4-methoxy-3-methyl-N-[(2R)-2-methylbutyl]butan-1-amine (CID 163984631) is (3R)-4-methoxy-3-methyl-N-[(2R)-2-methylbutyl]butan-1-amine.
What is the SMILES notation for (3R)-4-methoxy-3-methyl-N-[(2R)-2-methylbutyl]butan-1-amine?
The canonical SMILES for (3R)-4-methoxy-3-methyl-N-[(2R)-2-methylbutyl]butan-1-amine is CC[C@@H](C)CNCC[C@@H](C)COC.
What is the InChIKey of (3R)-4-methoxy-3-methyl-N-[(2R)-2-methylbutyl]butan-1-amine?
The InChIKey is TVEKDRYBLAGYSZ-GHMZBOCLSA-N. The full InChI is InChI=1S/C11H25NO/c1-5-10(2)8-12-7-6-11(3)9-13-4/h10-12H,5-9H2,1-4H3/t10-,11-/m1/s1.
What are the key properties of (3R)-4-methoxy-3-methyl-N-[(2R)-2-methylbutyl]butan-1-amine?
(3R)-4-methoxy-3-methyl-N-[(2R)-2-methylbutyl]butan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-methoxy-3-methyl-N-[(2R)-2-methylbutyl]butan-1-amine is sourced from PubChem (CID 163984631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).