N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

C12H21N3O — CID 107911734

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCc1nc(CNCC2C(C)(C)C2(C)C)no1
InChIInChI=1S/C12H21N3O/c1-8-14-10(15-16-8)7-13-6-9-11(2,3)12(9,4)5/h9,13H,6-7H2,1-5H3
InChIKeyNXWQTNUVAGOZNI-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.15
Rot. Bonds4

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (PubChem CID 107911734) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
PubChem CID107911734
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
SMILESCc1nc(CNCC2C(C)(C)C2(C)C)no1
InChIInChI=1S/C12H21N3O/c1-8-14-10(15-16-8)7-13-6-9-11(2,3)12(9,4)5/h9,13H,6-7H2,1-5H3
InChIKeyNXWQTNUVAGOZNI-UHFFFAOYSA-N
XLogP2.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(3-methyloxetan-3-yl)methyl]methanamine
CID 107911748
3-[[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]methyl]cyclopentan-1-ol
CID 106129527
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxolan-3-yl)methanamine
CID 107911452
1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 107234150
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-oxaspiro[4.5]decan-2-yl)methanamine
CID 106398433
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1-methylpyrrolidin-2-yl)methanamine
CID 106025406
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(thian-2-yl)methanamine
CID 107911765
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(oxan-3-yl)methanamine
CID 107911447
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
CID 107911749
1-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]cyclopentan-1-amine
CID 107911470
2,3,3-trimethyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]butan-1-amine
CID 107911870
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(2-methylthiolan-2-yl)methyl]methanamine
CID 107911772

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine (CID 107911734) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is Cc1nc(CNCC2C(C)(C)C2(C)C)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
The InChIKey is NXWQTNUVAGOZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-8-14-10(15-16-8)7-13-6-9-11(2,3)12(9,4)5/h9,13H,6-7H2,1-5H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine has a molecular weight of 223.32 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine is sourced from PubChem (CID 107911734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).