(2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol

C12H25NO2 — CID 104980788

IUPAC(2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)NC1CCOC(C(C)C)C1
InChIInChI=1S/C12H25NO2/c1-4-10(8-14)13-11-5-6-15-12(7-11)9(2)3/h9-14H,4-8H2,1-3H3/t10-,11?,12?/m0/s1
InChIKeyOJCOPPUZSVPKNL-UNXYVOJBSA-N
MW215.34 g/mol
LogP1.55
Rot. Bonds5

About (2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol

(2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol (PubChem CID 104980788) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is (2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol.

Molecular Properties

Compound Name(2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol
PubChem CID104980788
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name(2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol
SMILESCC[C@@H](CO)NC1CCOC(C(C)C)C1
InChIInChI=1S/C12H25NO2/c1-4-10(8-14)13-11-5-6-15-12(7-11)9(2)3/h9-14H,4-8H2,1-3H3/t10-,11?,12?/m0/s1
InChIKeyOJCOPPUZSVPKNL-UNXYVOJBSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol 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

(2R)-2-(oxolan-3-ylamino)butan-1-ol
CID 103922432
4-[[(2R)-1-hydroxybutan-2-yl]amino]cyclohexan-1-ol
CID 106595214
3-[[(2-propan-2-yloxan-4-yl)amino]methyl]pentan-3-ol
CID 65105820
5-[(2-propan-2-yloxan-4-yl)amino]pentan-1-ol
CID 107302829
2,2-dimethyl-3-[(2-propan-2-yloxan-4-yl)amino]propan-1-ol
CID 115359250
(2S)-2-(cyclooctylamino)butan-1-ol
CID 28723227
N'-butan-2-yl-N'-methyl-N-(2-propan-2-yloxan-4-yl)ethane-1,2-diamine
CID 103930680
[2-[(2-propan-2-yloxan-4-yl)amino]cyclohexyl]methanol
CID 103930700
(2R)-2-[[(3R,5R)-3,5-dimethylcyclohexyl]amino]butan-1-ol
CID 124576040
[(2R,4S)-2-propan-2-yloxan-4-yl]methanol
CID 97010857
4-oxo-4-[(2-propan-2-yloxan-4-yl)amino]butanoic acid
CID 120551271
N-(2-cyclopropylpropyl)-2-propan-2-yloxan-4-amine
CID 115914476

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol?
The IUPAC name of (2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol (CID 104980788) is (2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol.
What is the SMILES notation for (2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol?
The canonical SMILES for (2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol is CC[C@@H](CO)NC1CCOC(C(C)C)C1.
What is the InChIKey of (2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol?
The InChIKey is OJCOPPUZSVPKNL-UNXYVOJBSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-10(8-14)13-11-5-6-15-12(7-11)9(2)3/h9-14H,4-8H2,1-3H3/t10-,11?,12?/m0/s1.
What are the key properties of (2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol?
(2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol has a molecular weight of 215.34 g/mol, XLogP of 1.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(2-propan-2-yloxan-4-yl)amino]butan-1-ol is sourced from PubChem (CID 104980788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).