(3R)-1-N-ethyl-1-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine

C13H24N4O — CID 170109329

IUPAC(3R)-1-N-ethyl-1-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine
SMILESCCNC1(C)CCC[C@@H](NCc2nnc(C)o2)C1
InChIInChI=1S/C13H24N4O/c1-4-15-13(3)7-5-6-11(8-13)14-9-12-17-16-10(2)18-12/h11,14-15H,4-9H2,1-3H3/t11-,13?/m1/s1
InChIKeySXXJKRIYCZUKIZ-JTDNENJMSA-N
MW252.36 g/mol
LogP1.78
Rot. Bonds5

About (3R)-1-N-ethyl-1-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine

(3R)-1-N-ethyl-1-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine (PubChem CID 170109329) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is (3R)-1-N-ethyl-1-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine.

Molecular Properties

Compound Name(3R)-1-N-ethyl-1-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine
PubChem CID170109329
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name(3R)-1-N-ethyl-1-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine
SMILESCCNC1(C)CCC[C@@H](NCc2nnc(C)o2)C1
InChIInChI=1S/C13H24N4O/c1-4-15-13(3)7-5-6-11(8-13)14-9-12-17-16-10(2)18-12/h11,14-15H,4-9H2,1-3H3/t11-,13?/m1/s1
InChIKeySXXJKRIYCZUKIZ-JTDNENJMSA-N
XLogP1.78
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-N-ethyl-1-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine?
The IUPAC name of (3R)-1-N-ethyl-1-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine (CID 170109329) is (3R)-1-N-ethyl-1-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine.
What is the SMILES notation for (3R)-1-N-ethyl-1-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine?
The canonical SMILES for (3R)-1-N-ethyl-1-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine is CCNC1(C)CCC[C@@H](NCc2nnc(C)o2)C1.
What is the InChIKey of (3R)-1-N-ethyl-1-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine?
The InChIKey is SXXJKRIYCZUKIZ-JTDNENJMSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-15-13(3)7-5-6-11(8-13)14-9-12-17-16-10(2)18-12/h11,14-15H,4-9H2,1-3H3/t11-,13?/m1/s1.
What are the key properties of (3R)-1-N-ethyl-1-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine?
(3R)-1-N-ethyl-1-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine has a molecular weight of 252.36 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-N-ethyl-1-methyl-3-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]cyclohexane-1,3-diamine is sourced from PubChem (CID 170109329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).