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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Related Compounds

N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(cyclopropylmethyl)cyclohexanamine;hydrochloride
CID 120751690
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-cyclohexyl-N-methylethanamine;hydrochloride
CID 120751614
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methylcyclooctanamine
CID 120751565
[5-(cyclohexylmethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 61326432
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-2-(4-chlorophenyl)-N-(cyclopropylmethyl)ethanamine;hydrochloride
CID 120752000
N-[[1-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]piperidin-4-yl]methyl]-N-ethylethanamine
CID 120752659
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-(cyclopropylmethyl)aniline;hydrochloride
CID 120752301
N-[[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]methyl]-N-benzyl-1-(oxolan-2-yl)methanamine
CID 120751377
N-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
CID 60504443
2-[5-(2-cyclohexylethyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336068
[3-(cyclopentylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methanamine
CID 65141214
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)methanamine
CID 65390292

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).