(1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine

C10H19N3O — CID 93258995

IUPAC(1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCCCc1noc([C@H](N)C(C)(C)C)n1
InChIInChI=1S/C10H19N3O/c1-5-6-7-12-9(14-13-7)8(11)10(2,3)4/h8H,5-6,11H2,1-4H3/t8-/m0/s1
InChIKeyQXUUBUXWZJPNIM-QMMMGPOBSA-N
MW197.28 g/mol
LogP2.07
Rot. Bonds3

About (1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine

(1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine (PubChem CID 93258995) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
PubChem CID93258995
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name(1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
SMILESCCCc1noc([C@H](N)C(C)(C)C)n1
InChIInChI=1S/C10H19N3O/c1-5-6-7-12-9(14-13-7)8(11)10(2,3)4/h8H,5-6,11H2,1-4H3/t8-/m0/s1
InChIKeyQXUUBUXWZJPNIM-QMMMGPOBSA-N
XLogP2.07
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-propyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 43670441
(1S)-2,2-dimethyl-1-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899383
(1R)-2,2-dimethyl-1-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 94552169
(1S)-2,2-dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104899376
(1R)-1-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899466
1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 65137477
1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 102926817
1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43670386
(1S)-1-[3-(2-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899660
(1S)-2,2-dimethyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93057363
1-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43670431
1-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 43470432

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The IUPAC name of (1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine (CID 93258995) is (1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine.
What is the SMILES notation for (1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The canonical SMILES for (1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine is CCCc1noc([C@H](N)C(C)(C)C)n1.
What is the InChIKey of (1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
The InChIKey is QXUUBUXWZJPNIM-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-6-7-12-9(14-13-7)8(11)10(2,3)4/h8H,5-6,11H2,1-4H3/t8-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine?
(1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine is sourced from PubChem (CID 93258995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).