(2S)-3-methyl-2-morpholin-4-ylbutan-1-amine

C9H20N2O — CID 51624538

IUPAC(2S)-3-methyl-2-morpholin-4-ylbutan-1-amine
SMILESCC(C)[C@@H](CN)N1CCOCC1
InChIInChI=1S/C9H20N2O/c1-8(2)9(7-10)11-3-5-12-6-4-11/h8-9H,3-7,10H2,1-2H3/t9-/m1/s1
InChIKeyKUZCEYDTUIJKLG-SECBINFHSA-N
MW172.27 g/mol
LogP0.30
Rot. Bonds3

About (2S)-3-methyl-2-morpholin-4-ylbutan-1-amine

(2S)-3-methyl-2-morpholin-4-ylbutan-1-amine (PubChem CID 51624538) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is (2S)-3-methyl-2-morpholin-4-ylbutan-1-amine.

Molecular Properties

Compound Name(2S)-3-methyl-2-morpholin-4-ylbutan-1-amine
PubChem CID51624538
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name(2S)-3-methyl-2-morpholin-4-ylbutan-1-amine
SMILESCC(C)[C@@H](CN)N1CCOCC1
InChIInChI=1S/C9H20N2O/c1-8(2)9(7-10)11-3-5-12-6-4-11/h8-9H,3-7,10H2,1-2H3/t9-/m1/s1
InChIKeyKUZCEYDTUIJKLG-SECBINFHSA-N
XLogP0.30
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-3-methyl-2-morpholin-4-ylbutan-1-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-methyl-2-morpholin-4-ylbutan-1-amine?
The IUPAC name of (2S)-3-methyl-2-morpholin-4-ylbutan-1-amine (CID 51624538) is (2S)-3-methyl-2-morpholin-4-ylbutan-1-amine.
What is the SMILES notation for (2S)-3-methyl-2-morpholin-4-ylbutan-1-amine?
The canonical SMILES for (2S)-3-methyl-2-morpholin-4-ylbutan-1-amine is CC(C)[C@@H](CN)N1CCOCC1.
What is the InChIKey of (2S)-3-methyl-2-morpholin-4-ylbutan-1-amine?
The InChIKey is KUZCEYDTUIJKLG-SECBINFHSA-N. The full InChI is InChI=1S/C9H20N2O/c1-8(2)9(7-10)11-3-5-12-6-4-11/h8-9H,3-7,10H2,1-2H3/t9-/m1/s1.
What are the key properties of (2S)-3-methyl-2-morpholin-4-ylbutan-1-amine?
(2S)-3-methyl-2-morpholin-4-ylbutan-1-amine has a molecular weight of 172.27 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-methyl-2-morpholin-4-ylbutan-1-amine is sourced from PubChem (CID 51624538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).