N'-cyclopentyl-N'-methyl-N-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;dihydrochloride

C13H27Cl2N5O — CID 154917662

IUPACN'-cyclopentyl-N'-methyl-N-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;dihydrochloride
SMILESCNCc1nnc(NCCCN(C)C2CCCC2)o1.Cl.Cl
InChIInChI=1S/C13H25N5O.2ClH/c1-14-10-12-16-17-13(19-12)15-8-5-9-18(2)11-6-3-4-7-11;;/h11,14H,3-10H2,1-2H3,(H,15,17);2*1H
InChIKeyDIKPHHBHDFVJDX-UHFFFAOYSA-N
MW340.30 g/mol
LogP2.31
Rot. Bonds8

About N'-cyclopentyl-N'-methyl-N-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;dihydrochloride

N'-cyclopentyl-N'-methyl-N-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;dihydrochloride (PubChem CID 154917662) has the molecular formula C13H27Cl2N5O and a molecular weight of 340.30 g/mol. Its IUPAC name is N'-cyclopentyl-N'-methyl-N-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;dihydrochloride.

Molecular Properties

Compound NameN'-cyclopentyl-N'-methyl-N-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;dihydrochloride
PubChem CID154917662
Molecular FormulaC13H27Cl2N5O
Molecular Weight340.30 g/mol
Exact Mass339.16
IUPAC NameN'-cyclopentyl-N'-methyl-N-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;dihydrochloride
SMILESCNCc1nnc(NCCCN(C)C2CCCC2)o1.Cl.Cl
InChIInChI=1S/C13H25N5O.2ClH/c1-14-10-12-16-17-13(19-12)15-8-5-9-18(2)11-6-3-4-7-11;;/h11,14H,3-10H2,1-2H3,(H,15,17);2*1H
InChIKeyDIKPHHBHDFVJDX-UHFFFAOYSA-N
XLogP2.31
TPSA66.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N'-methyl-N-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;dihydrochloride?
The IUPAC name of N'-cyclopentyl-N'-methyl-N-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;dihydrochloride (CID 154917662) is N'-cyclopentyl-N'-methyl-N-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;dihydrochloride.
What is the SMILES notation for N'-cyclopentyl-N'-methyl-N-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;dihydrochloride?
The canonical SMILES for N'-cyclopentyl-N'-methyl-N-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;dihydrochloride is CNCc1nnc(NCCCN(C)C2CCCC2)o1.Cl.Cl.
What is the InChIKey of N'-cyclopentyl-N'-methyl-N-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;dihydrochloride?
The InChIKey is DIKPHHBHDFVJDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O.2ClH/c1-14-10-12-16-17-13(19-12)15-8-5-9-18(2)11-6-3-4-7-11;;/h11,14H,3-10H2,1-2H3,(H,15,17);2*1H.
What are the key properties of N'-cyclopentyl-N'-methyl-N-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;dihydrochloride?
N'-cyclopentyl-N'-methyl-N-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;dihydrochloride has a molecular weight of 340.30 g/mol, XLogP of 2.31, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N'-methyl-N-[5-(methylaminomethyl)-1,3,4-oxadiazol-2-yl]propane-1,3-diamine;dihydrochloride is sourced from PubChem (CID 154917662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).