N-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

C14H26N4O — CID 106970865

IUPACN-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NC2(C)CCCCC2)o1
InChIInChI=1S/C14H26N4O/c1-4-10-15-11(2)12-17-18-13(19-12)16-14(3)8-6-5-7-9-14/h11,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyVDPCJBUFIQBQMQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.26
Rot. Bonds6

About N-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106970865) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is N-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106970865
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC NameN-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NC2(C)CCCCC2)o1
InChIInChI=1S/C14H26N4O/c1-4-10-15-11(2)12-17-18-13(19-12)16-14(3)8-6-5-7-9-14/h11,15H,4-10H2,1-3H3,(H,16,18)
InChIKeyVDPCJBUFIQBQMQ-UHFFFAOYSA-N
XLogP3.26
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106970865) is N-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(NC2(C)CCCCC2)o1.
What is the InChIKey of N-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is VDPCJBUFIQBQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-4-10-15-11(2)12-17-18-13(19-12)16-14(3)8-6-5-7-9-14/h11,15H,4-10H2,1-3H3,(H,16,18).
What are the key properties of N-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 266.39 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylcyclohexyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106970865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).