N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

C14H26N4O — CID 106970227

IUPACN-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC1CCCC(N(C)c2nnc(CNC(C)C)o2)C1
InChIInChI=1S/C14H26N4O/c1-10(2)15-9-13-16-17-14(19-13)18(4)12-7-5-6-11(3)8-12/h10-12,15H,5-9H2,1-4H3
InChIKeyORXHJPDIPCPCLT-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.58
Rot. Bonds5

About N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106970227) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106970227
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCC1CCCC(N(C)c2nnc(CNC(C)C)o2)C1
InChIInChI=1S/C14H26N4O/c1-10(2)15-9-13-16-17-14(19-13)18(4)12-7-5-6-11(3)8-12/h10-12,15H,5-9H2,1-4H3
InChIKeyORXHJPDIPCPCLT-UHFFFAOYSA-N
XLogP2.58
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-N-ethyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969096
N-cyclohexyl-N-ethyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968010
N-(cyclohexylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959848
N-cyclopentyl-N-(3-methylbutyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106963261
N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridazin-3-amine
CID 62283943
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106968644
N-methyl-N-(3-methylcyclohexyl)-4-[(propan-2-ylamino)methyl]aniline
CID 63551559
N-[[5-(2-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 107183179
N-[[5-(2-cyclopentylethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 62137045
N-[[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 103166366
5-chloro-N-methyl-N-(3-methylcyclohexyl)-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62283930
N-(4-fluorophenyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106970569

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106970227) is N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is CC1CCCC(N(C)c2nnc(CNC(C)C)o2)C1.
What is the InChIKey of N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is ORXHJPDIPCPCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-10(2)15-9-13-16-17-14(19-13)18(4)12-7-5-6-11(3)8-12/h10-12,15H,5-9H2,1-4H3.
What are the key properties of N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 266.39 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylcyclohexyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).