N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine

C12H22N4O2 — CID 106969389

IUPACN-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(N(C)C2CCOCC2)o1
InChIInChI=1S/C12H22N4O2/c1-3-6-13-9-11-14-15-12(18-11)16(2)10-4-7-17-8-5-10/h10,13H,3-9H2,1-2H3
InChIKeyTWVOIOXAJVPDEP-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.18
Rot. Bonds6

About N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine

N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 106969389) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
PubChem CID106969389
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC NameN-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
SMILESCCCNCc1nnc(N(C)C2CCOCC2)o1
InChIInChI=1S/C12H22N4O2/c1-3-6-13-9-11-14-15-12(18-11)16(2)10-4-7-17-8-5-10/h10,13H,3-9H2,1-2H3
InChIKeyTWVOIOXAJVPDEP-UHFFFAOYSA-N
XLogP1.18
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106969463
N-(cyclobutylmethyl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960675
N-methyl-N-(oxolan-2-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106970695
2-N-methyl-2-N-(oxan-4-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103436686
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106968644
N-(2,2-difluoroethyl)-N-methyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106965364
N-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]propan-1-amine
CID 62139591
N-ethyl-N-phenyl-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106967964
N-methyl-5-[(2-methylpropylamino)methyl]-N-(oxan-4-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106961397
N-(oxolan-3-ylmethyl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine
CID 106960664
N-methyl-N-[3-methyl-4-(propylaminomethyl)phenyl]oxan-4-amine
CID 62136388
2-[methyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]-N-propan-2-ylacetamide
CID 106959438

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine (CID 106969389) is N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is CCCNCc1nnc(N(C)C2CCOCC2)o1.
What is the InChIKey of N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is TWVOIOXAJVPDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-3-6-13-9-11-14-15-12(18-11)16(2)10-4-7-17-8-5-10/h10,13H,3-9H2,1-2H3.
What are the key properties of N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine?
N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 254.33 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(oxan-4-yl)-5-(propylaminomethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106969389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).