N-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine

C17H29N3O — CID 60504443

IUPACN-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESCC(C)Cc1nc(CN(CC2CCCCC2)C2CC2)no1
InChIInChI=1S/C17H29N3O/c1-13(2)10-17-18-16(19-21-17)12-20(15-8-9-15)11-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3
InChIKeyNVABGTZXUXOOFB-UHFFFAOYSA-N
MW291.44 g/mol
LogP3.81
Rot. Bonds7

About N-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine

N-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (PubChem CID 60504443) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
PubChem CID60504443
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC NameN-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine
SMILESCC(C)Cc1nc(CN(CC2CCCCC2)C2CC2)no1
InChIInChI=1S/C17H29N3O/c1-13(2)10-17-18-16(19-21-17)12-20(15-8-9-15)11-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3
InChIKeyNVABGTZXUXOOFB-UHFFFAOYSA-N
XLogP3.81
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine (CID 60504443) is N-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is CC(C)Cc1nc(CN(CC2CCCCC2)C2CC2)no1.
What is the InChIKey of N-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
The InChIKey is NVABGTZXUXOOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-13(2)10-17-18-16(19-21-17)12-20(15-8-9-15)11-14-6-4-3-5-7-14/h13-15H,3-12H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine?
N-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine has a molecular weight of 291.44 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[[5-(2-methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 60504443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).