[(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine

C9H19NO — CID 125457327

IUPAC[(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine
SMILESCC[C@H](C)[C@H]1CO[C@H](CN)C1
InChIInChI=1S/C9H19NO/c1-3-7(2)8-4-9(5-10)11-6-8/h7-9H,3-6,10H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeyYXZADNIGJMWTIO-YIZRAAEISA-N
MW157.26 g/mol
LogP1.40
Rot. Bonds3

About [(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine

[(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine (PubChem CID 125457327) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is [(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine
PubChem CID125457327
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name[(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine
SMILESCC[C@H](C)[C@H]1CO[C@H](CN)C1
InChIInChI=1S/C9H19NO/c1-3-7(2)8-4-9(5-10)11-6-8/h7-9H,3-6,10H2,1-2H3/t7-,8+,9-/m0/s1
InChIKeyYXZADNIGJMWTIO-YIZRAAEISA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze [(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

(2-butan-2-yl-1,3-dioxolan-4-yl)methanamine
CID 82775210
[(2R,4S)-4-methyloxolan-2-yl]methanamine
CID 124578103
oxiran-2-ylmethanamine;trihydrochloride
CID 175135913
2-butan-2-yloxirane;methane
CID 161408982
(2-butan-2-yl-2-methyl-1,3-dioxolan-4-yl)methanamine
CID 130511719
3-butan-2-yloxolane;ethane
CID 143988733
[(2R,4S)-4-cyclopentyloxolan-2-yl]methanamine
CID 125456482
2-(chloromethyl)oxirane;oxiran-2-ylmethanamine
CID 166746758
1-butan-2-yl-4-[1-(4-propan-2-ylcyclohexyl)ethyl]cyclohexane
CID 153382511
[(2S,5R)-5-(aminomethyl)-1,4-dioxan-2-yl]methanol;hydrochloride
CID 155978477
1-(5-methyloxolan-3-yl)propan-1-ol
CID 115787725
5-butan-2-yl-2-ethyl-2-methyl-1,3-dioxane
CID 89076533

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine?
The IUPAC name of [(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine (CID 125457327) is [(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine.
What is the SMILES notation for [(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine?
The canonical SMILES for [(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine is CC[C@H](C)[C@H]1CO[C@H](CN)C1.
What is the InChIKey of [(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine?
The InChIKey is YXZADNIGJMWTIO-YIZRAAEISA-N. The full InChI is InChI=1S/C9H19NO/c1-3-7(2)8-4-9(5-10)11-6-8/h7-9H,3-6,10H2,1-2H3/t7-,8+,9-/m0/s1.
What are the key properties of [(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine?
[(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine has a molecular weight of 157.26 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-[(2S)-butan-2-yl]oxolan-2-yl]methanamine is sourced from PubChem (CID 125457327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).