N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine

C13H22N2O — CID 115727487

IUPACN-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
SMILESCc1noc(C)c1CCCNC(C)C1CC1
InChIInChI=1S/C13H22N2O/c1-9(12-6-7-12)14-8-4-5-13-10(2)15-16-11(13)3/h9,12,14H,4-8H2,1-3H3
InChIKeyUDYJLMMCYFQFOW-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.61
Rot. Bonds6

About N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine

N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine (PubChem CID 115727487) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
PubChem CID115727487
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC NameN-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine
SMILESCc1noc(C)c1CCCNC(C)C1CC1
InChIInChI=1S/C13H22N2O/c1-9(12-6-7-12)14-8-4-5-13-10(2)15-16-11(13)3/h9,12,14H,4-8H2,1-3H3
InChIKeyUDYJLMMCYFQFOW-UHFFFAOYSA-N
XLogP2.61
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylpropan-1-amine
CID 23006357
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine
CID 115718218
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]bicyclo[2.2.1]heptan-2-amine
CID 84593662
3-cyclopropyl-3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]propanoic acid
CID 81361737
(2R)-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-phenylpropan-1-amine
CID 129433141
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-methoxybutan-2-amine
CID 115688369
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1S)-1-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)ethyl]propan-1-amine
CID 97138273
N-(1-cyclopropylethyl)dodecan-1-amine
CID 55195999
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]cyclopentanecarboxamide
CID 110646241
6-chloro-2-cyclopropyl-N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]pyrimidin-4-amine
CID 133419292
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(oxolan-3-yl)acetamide
CID 119071118
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)propan-2-yl]cyclopentanamine
CID 115722279

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine?
The IUPAC name of N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine (CID 115727487) is N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine?
The canonical SMILES for N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine is Cc1noc(C)c1CCCNC(C)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine?
The InChIKey is UDYJLMMCYFQFOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-9(12-6-7-12)14-8-4-5-13-10(2)15-16-11(13)3/h9,12,14H,4-8H2,1-3H3.
What are the key properties of N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine?
N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propan-1-amine is sourced from PubChem (CID 115727487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).