N-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine

C13H22N2O — CID 95289560

IUPACN-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
SMILESCc1cc(CN(C2CC2)[C@@H](C)C(C)C)on1
InChIInChI=1S/C13H22N2O/c1-9(2)11(4)15(12-5-6-12)8-13-7-10(3)14-16-13/h7,9,11-12H,5-6,8H2,1-4H3/t11-/m0/s1
InChIKeySPOPGYQCYMEGQE-NSHDSACASA-N
MW222.33 g/mol
LogP2.99
Rot. Bonds5

About N-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine

N-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine (PubChem CID 95289560) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
PubChem CID95289560
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
SMILESCc1cc(CN(C2CC2)[C@@H](C)C(C)C)on1
InChIInChI=1S/C13H22N2O/c1-9(2)11(4)15(12-5-6-12)8-13-7-10(3)14-16-13/h7,9,11-12H,5-6,8H2,1-4H3/t11-/m0/s1
InChIKeySPOPGYQCYMEGQE-NSHDSACASA-N
XLogP2.99
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine with MolForge

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Related Compounds

3-ethyl-5-[(2S)-1-methylpyrrolidin-2-yl]-1,2-oxazole
CID 9989851
3-ethyl-5-[(2R)-1-methylpyrrolidin-2-yl]-1,2-oxazole
CID 10103768
5-[(2R)-1-ethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 44358926
4-Methyl-1-[(3-methylisoxazol-5-yl)carbonyl]piperidine
CID 16193762
5-[(2S,4R)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 10241411
5-[(2R,4S)-1,4-dimethylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 15294394
N-Methyl-3-(1-methylethyl)-5-isoxazolemethanamine
CID 25220772
3-Ethyl-5-(1-methylpyrrolidin-2-yl)-1,2-oxazole
CID 15186113
((2S,4S)-4-fluoro-1-((3-methyl-1,2-oxazol-5-yl)methyl)pyrrolidin-2-yl)methanamine
CID 119030869
Methyl[(3-methyl-1,2-oxazol-5-yl)methyl]amine hydrochloride
CID 45595353
N,N-diethyl-3-methyl-1,2-oxazole-5-carboxamide
CID 20868344
3-methyl-5-[(2S)-1-methylazetidin-2-yl]-1,2-oxazole
CID 22853239

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine (CID 95289560) is N-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine is Cc1cc(CN(C2CC2)[C@@H](C)C(C)C)on1.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine?
The InChIKey is SPOPGYQCYMEGQE-NSHDSACASA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(2)11(4)15(12-5-6-12)8-13-7-10(3)14-16-13/h7,9,11-12H,5-6,8H2,1-4H3/t11-/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine?
N-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine has a molecular weight of 222.33 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine is sourced from PubChem (CID 95289560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).