5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine

C14H28N4O — CID 107871949

IUPAC5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(N(CCC(C)C)CCC(C)C)o1
InChIInChI=1S/C14H28N4O/c1-11(2)6-8-18(9-7-12(3)4)14-17-16-13(19-14)10-15-5/h11-12,15H,6-10H2,1-5H3
InChIKeyDLEFBUNRGWUDRU-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.69
Rot. Bonds9

About 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine

5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine (PubChem CID 107871949) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine
PubChem CID107871949
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine
SMILESCNCc1nnc(N(CCC(C)C)CCC(C)C)o1
InChIInChI=1S/C14H28N4O/c1-11(2)6-8-18(9-7-12(3)4)14-17-16-13(19-14)10-15-5/h11-12,15H,6-10H2,1-5H3
InChIKeyDLEFBUNRGWUDRU-UHFFFAOYSA-N
XLogP2.69
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(tert-butylamino)methyl]-N,N-bis(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969811
N'-[5-(ethylaminomethyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 106969906
N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106963261
N-(2-methoxyethyl)-N-(3-methoxypropyl)-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970989
N-cyclopentyl-5-(ethylaminomethyl)-N-(3-methylbutyl)-1,3,4-oxadiazol-2-amine
CID 106963269
N-methyl-5-(methylaminomethyl)-N-(2-methylsulfonylethyl)-1,3,4-oxadiazol-2-amine
CID 106963034
5-(methylaminomethyl)-N-(2-methylpropyl)-1,3,4-oxadiazol-2-amine
CID 106967633
N-methyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]-propylamino]acetamide
CID 106971369
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3-thiazol-2-amine
CID 107871472
5-[(2-methylpropylamino)methyl]-N-propyl-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106969917
N-ethyl-N-(2-methoxyethyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970932
2-[2-methylpropyl-[5-(propylaminomethyl)-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106970609

Frequently Asked Questions

What is the IUPAC name of 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine (CID 107871949) is 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine is CNCc1nnc(N(CCC(C)C)CCC(C)C)o1.
What is the InChIKey of 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DLEFBUNRGWUDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-11(2)6-8-18(9-7-12(3)4)14-17-16-13(19-14)10-15-5/h11-12,15H,6-10H2,1-5H3.
What are the key properties of 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine?
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 268.40 g/mol, XLogP of 2.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methylaminomethyl)-N,N-bis(3-methylbutyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 107871949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).