(2S)-3-ethoxybutan-2-amine

C6H15NO — CID 64712582

IUPAC(2S)-3-ethoxybutan-2-amine
SMILESCCOC(C)[C@H](C)N
InChIInChI=1S/C6H15NO/c1-4-8-6(3)5(2)7/h5-6H,4,7H2,1-3H3/t5-,6?/m0/s1
InChIKeyDPXDOMRQYAUIIT-ZBHICJROSA-N
MW117.19 g/mol
LogP0.76
Rot. Bonds3

About (2S)-3-ethoxybutan-2-amine

(2S)-3-ethoxybutan-2-amine (PubChem CID 64712582) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is (2S)-3-ethoxybutan-2-amine.

Molecular Properties

Compound Name(2S)-3-ethoxybutan-2-amine
PubChem CID64712582
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Name(2S)-3-ethoxybutan-2-amine
SMILESCCOC(C)[C@H](C)N
InChIInChI=1S/C6H15NO/c1-4-8-6(3)5(2)7/h5-6H,4,7H2,1-3H3/t5-,6?/m0/s1
InChIKeyDPXDOMRQYAUIIT-ZBHICJROSA-N
XLogP0.76
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-3-ethoxybutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-3-ethoxybutan-2-amine?
The IUPAC name of (2S)-3-ethoxybutan-2-amine (CID 64712582) is (2S)-3-ethoxybutan-2-amine.
What is the SMILES notation for (2S)-3-ethoxybutan-2-amine?
The canonical SMILES for (2S)-3-ethoxybutan-2-amine is CCOC(C)[C@H](C)N.
What is the InChIKey of (2S)-3-ethoxybutan-2-amine?
The InChIKey is DPXDOMRQYAUIIT-ZBHICJROSA-N. The full InChI is InChI=1S/C6H15NO/c1-4-8-6(3)5(2)7/h5-6H,4,7H2,1-3H3/t5-,6?/m0/s1.
What are the key properties of (2S)-3-ethoxybutan-2-amine?
(2S)-3-ethoxybutan-2-amine has a molecular weight of 117.19 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-ethoxybutan-2-amine is sourced from PubChem (CID 64712582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).