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

C16H30N4O — CID 106959782

IUPACN-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(N(C)C2CCC(CC)CC2)o1
InChIInChI=1S/C16H30N4O/c1-5-11-17-12(3)15-18-19-16(21-15)20(4)14-9-7-13(6-2)8-10-14/h12-14,17H,5-11H2,1-4H3
InChIKeyLNHVCCQIUIGRRC-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.54
Rot. Bonds7

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

N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106959782) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106959782
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC NameN-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(N(C)C2CCC(CC)CC2)o1
InChIInChI=1S/C16H30N4O/c1-5-11-17-12(3)15-18-19-16(21-15)20(4)14-9-7-13(6-2)8-10-14/h12-14,17H,5-11H2,1-4H3
InChIKeyLNHVCCQIUIGRRC-UHFFFAOYSA-N
XLogP3.54
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969352
2-[methyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]cyclohexan-1-ol
CID 106965820
N-methyl-N-pentan-2-yl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969331
1-[[methyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]cyclopentan-1-ol
CID 106965603
N-cyclopropyl-2-[methyl-[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106971142
5-[1-(ethylamino)ethyl]-N-(4-ethylcyclohexyl)-1,3,4-oxadiazol-2-amine
CID 106970199
N-[1-[5-(cyclobutylmethyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 103166387
N-methyl-N-(1-methylsulfanylbutan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964208
N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3-thiazol-2-amine
CID 63513731
N-methyl-N-(2-phenylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961805
N-cyclopropyl-5-[1-(methylamino)ethyl]-N-propyl-1,3,4-oxadiazol-2-amine
CID 106968720
N-ethyl-N-(1-methoxypropan-2-yl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106969951

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106959782) is N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(N(C)C2CCC(CC)CC2)o1.
What is the InChIKey of N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is LNHVCCQIUIGRRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-5-11-17-12(3)15-18-19-16(21-15)20(4)14-9-7-13(6-2)8-10-14/h12-14,17H,5-11H2,1-4H3.
What are the key properties of N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 294.44 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-N-methyl-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106959782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).