(2R)-4-(4-methylpentoxy)butan-2-amine

C10H23NO — CID 28998851

IUPAC(2R)-4-(4-methylpentoxy)butan-2-amine
SMILESCC(C)CCCOCC[C@@H](C)N
InChIInChI=1S/C10H23NO/c1-9(2)5-4-7-12-8-6-10(3)11/h9-10H,4-8,11H2,1-3H3/t10-/m1/s1
InChIKeyYPQOUBJEUPKCOC-SNVBAGLBSA-N
MW173.30 g/mol
LogP2.18
Rot. Bonds7

About (2R)-4-(4-methylpentoxy)butan-2-amine

(2R)-4-(4-methylpentoxy)butan-2-amine (PubChem CID 28998851) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is (2R)-4-(4-methylpentoxy)butan-2-amine.

Molecular Properties

Compound Name(2R)-4-(4-methylpentoxy)butan-2-amine
PubChem CID28998851
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name(2R)-4-(4-methylpentoxy)butan-2-amine
SMILESCC(C)CCCOCC[C@@H](C)N
InChIInChI=1S/C10H23NO/c1-9(2)5-4-7-12-8-6-10(3)11/h9-10H,4-8,11H2,1-3H3/t10-/m1/s1
InChIKeyYPQOUBJEUPKCOC-SNVBAGLBSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.18
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 (2R)-4-(4-methylpentoxy)butan-2-amine?
The IUPAC name of (2R)-4-(4-methylpentoxy)butan-2-amine (CID 28998851) is (2R)-4-(4-methylpentoxy)butan-2-amine.
What is the SMILES notation for (2R)-4-(4-methylpentoxy)butan-2-amine?
The canonical SMILES for (2R)-4-(4-methylpentoxy)butan-2-amine is CC(C)CCCOCC[C@@H](C)N.
What is the InChIKey of (2R)-4-(4-methylpentoxy)butan-2-amine?
The InChIKey is YPQOUBJEUPKCOC-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(2)5-4-7-12-8-6-10(3)11/h9-10H,4-8,11H2,1-3H3/t10-/m1/s1.
What are the key properties of (2R)-4-(4-methylpentoxy)butan-2-amine?
(2R)-4-(4-methylpentoxy)butan-2-amine has a molecular weight of 173.30 g/mol, XLogP of 2.18, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(4-methylpentoxy)butan-2-amine is sourced from PubChem (CID 28998851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).