N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-cyclohexyl-N-(cyclohexylmethyl)methanamine

C18H32N4O — CID 120751413

IUPACN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-cyclohexyl-N-(cyclohexylmethyl)methanamine
SMILESNCc1nc(CN(CC2CCCCC2)CC2CCCCC2)no1
InChIInChI=1S/C18H32N4O/c19-11-18-20-17(21-23-18)14-22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h15-16H,1-14,19H2
InChIKeyFQNPPDXFZFLCFL-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.49
Rot. Bonds7

About N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-cyclohexyl-N-(cyclohexylmethyl)methanamine

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-cyclohexyl-N-(cyclohexylmethyl)methanamine (PubChem CID 120751413) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-cyclohexyl-N-(cyclohexylmethyl)methanamine.

Molecular Properties

Compound NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-cyclohexyl-N-(cyclohexylmethyl)methanamine
PubChem CID120751413
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC NameN-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-cyclohexyl-N-(cyclohexylmethyl)methanamine
SMILESNCc1nc(CN(CC2CCCCC2)CC2CCCCC2)no1
InChIInChI=1S/C18H32N4O/c19-11-18-20-17(21-23-18)14-22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h15-16H,1-14,19H2
InChIKeyFQNPPDXFZFLCFL-UHFFFAOYSA-N
XLogP3.49
TPSA68.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-cyclohexyl-N-(cyclohexylmethyl)methanamine?
The IUPAC name of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-cyclohexyl-N-(cyclohexylmethyl)methanamine (CID 120751413) is N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-cyclohexyl-N-(cyclohexylmethyl)methanamine.
What is the SMILES notation for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-cyclohexyl-N-(cyclohexylmethyl)methanamine?
The canonical SMILES for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-cyclohexyl-N-(cyclohexylmethyl)methanamine is NCc1nc(CN(CC2CCCCC2)CC2CCCCC2)no1.
What is the InChIKey of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-cyclohexyl-N-(cyclohexylmethyl)methanamine?
The InChIKey is FQNPPDXFZFLCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c19-11-18-20-17(21-23-18)14-22(12-15-7-3-1-4-8-15)13-16-9-5-2-6-10-16/h15-16H,1-14,19H2.
What are the key properties of N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-cyclohexyl-N-(cyclohexylmethyl)methanamine?
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-cyclohexyl-N-(cyclohexylmethyl)methanamine has a molecular weight of 320.48 g/mol, XLogP of 3.49, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-1-cyclohexyl-N-(cyclohexylmethyl)methanamine is sourced from PubChem (CID 120751413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).