(2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine

C9H21NO — CID 166556352

IUPAC(2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine
SMILESCO[C@@H](C)[C@@H](C)NCC(C)C
InChIInChI=1S/C9H21NO/c1-7(2)6-10-8(3)9(4)11-5/h7-10H,6H2,1-5H3/t8-,9+/m1/s1
InChIKeyCJZAGMZKUBUNOO-BDAKNGLRSA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds5

About (2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine

(2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine (PubChem CID 166556352) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is (2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine.

Molecular Properties

Compound Name(2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine
PubChem CID166556352
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name(2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine
SMILESCO[C@@H](C)[C@@H](C)NCC(C)C
InChIInChI=1S/C9H21NO/c1-7(2)6-10-8(3)9(4)11-5/h7-10H,6H2,1-5H3/t8-,9+/m1/s1
InChIKeyCJZAGMZKUBUNOO-BDAKNGLRSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine?
The IUPAC name of (2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine (CID 166556352) is (2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine.
What is the SMILES notation for (2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine?
The canonical SMILES for (2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine is CO[C@@H](C)[C@@H](C)NCC(C)C.
What is the InChIKey of (2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine?
The InChIKey is CJZAGMZKUBUNOO-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(2)6-10-8(3)9(4)11-5/h7-10H,6H2,1-5H3/t8-,9+/m1/s1.
What are the key properties of (2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine?
(2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-methoxy-N-(2-methylpropyl)butan-2-amine is sourced from PubChem (CID 166556352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).