N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine

C15H25N3O2 — CID 77083073

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine
SMILESCN(Cc1nc(C2CC2)no1)CC1CCOC(C)(C)C1
InChIInChI=1S/C15H25N3O2/c1-15(2)8-11(6-7-19-15)9-18(3)10-13-16-14(17-20-13)12-4-5-12/h11-12H,4-10H2,1-3H3
InChIKeyMNQDGWIHAMFDKB-UHFFFAOYSA-N
MW279.38 g/mol
LogP2.58
Rot. Bonds5

About N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine (PubChem CID 77083073) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine
PubChem CID77083073
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine
SMILESCN(Cc1nc(C2CC2)no1)CC1CCOC(C)(C)C1
InChIInChI=1S/C15H25N3O2/c1-15(2)8-11(6-7-19-15)9-18(3)10-13-16-14(17-20-13)12-4-5-12/h11-12H,4-10H2,1-3H3
InChIKeyMNQDGWIHAMFDKB-UHFFFAOYSA-N
XLogP2.58
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine with MolForge

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Related Compounds

(4S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-ethyl-2,2-dimethyloxan-4-amine
CID 129345216
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 79717184
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[1-(2-methylpropyl)pyrrolidin-3-yl]methanamine
CID 45171143
1-[(4R)-2,2-dimethyloxan-4-yl]-N-methyl-N-[(2-methyl-4-pyridinyl)methyl]methanamine
CID 99934815
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-phenylmethanamine
CID 25453292
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-methylmethanamine
CID 91837128
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-methylmethanamine
CID 56811259
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 51076501
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-quinoxalin-2-ylmethanamine
CID 91835446
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 86855997
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-3-methoxypropan-2-ol
CID 62016177
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methanamine
CID 94032187

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine (CID 77083073) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine is CN(Cc1nc(C2CC2)no1)CC1CCOC(C)(C)C1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine?
The InChIKey is MNQDGWIHAMFDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-15(2)8-11(6-7-19-15)9-18(3)10-13-16-14(17-20-13)12-4-5-12/h11-12H,4-10H2,1-3H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine has a molecular weight of 279.38 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-1-(2,2-dimethyloxan-4-yl)-N-methylmethanamine is sourced from PubChem (CID 77083073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).