4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine

C16H30N4O — CID 79117293

IUPAC4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(Cc1noc(C(C)(C)C)n1)C1CCC(N)CC1
InChIInChI=1S/C16H30N4O/c1-5-10-20(13-8-6-12(17)7-9-13)11-14-18-15(21-19-14)16(2,3)4/h12-13H,5-11,17H2,1-4H3
InChIKeyOMPXQSBMQXEESM-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.85
Rot. Bonds5

About 4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine

4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine (PubChem CID 79117293) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine
PubChem CID79117293
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine
SMILESCCCN(Cc1noc(C(C)(C)C)n1)C1CCC(N)CC1
InChIInChI=1S/C16H30N4O/c1-5-10-20(13-8-6-12(17)7-9-13)11-14-18-15(21-19-14)16(2,3)4/h12-13H,5-11,17H2,1-4H3
InChIKeyOMPXQSBMQXEESM-UHFFFAOYSA-N
XLogP2.85
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine (CID 79117293) is 4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine is CCCN(Cc1noc(C(C)(C)C)n1)C1CCC(N)CC1.
What is the InChIKey of 4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine?
The InChIKey is OMPXQSBMQXEESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-5-10-20(13-8-6-12(17)7-9-13)11-14-18-15(21-19-14)16(2,3)4/h12-13H,5-11,17H2,1-4H3.
What are the key properties of 4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine?
4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine has a molecular weight of 294.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-4-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 79117293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).