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

C15H25N3O — CID 86789362

IUPAC1,1-dicyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CNC(C2CCCC2)C2CCCC2)o1
InChIInChI=1S/C15H25N3O/c1-11-17-18-14(19-11)10-16-15(12-6-2-3-7-12)13-8-4-5-9-13/h12-13,15-16H,2-10H2,1H3
InChIKeyKXPDMXOUDMHSQK-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.22
Rot. Bonds5

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

1,1-dicyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (PubChem CID 86789362) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 1,1-dicyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1,1-dicyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
PubChem CID86789362
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name1,1-dicyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
SMILESCc1nnc(CNC(C2CCCC2)C2CCCC2)o1
InChIInChI=1S/C15H25N3O/c1-11-17-18-14(19-11)10-16-15(12-6-2-3-7-12)13-8-4-5-9-13/h12-13,15-16H,2-10H2,1H3
InChIKeyKXPDMXOUDMHSQK-UHFFFAOYSA-N
XLogP3.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The IUPAC name of 1,1-dicyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine (CID 86789362) is 1,1-dicyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1,1-dicyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The canonical SMILES for 1,1-dicyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is Cc1nnc(CNC(C2CCCC2)C2CCCC2)o1.
What is the InChIKey of 1,1-dicyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
The InChIKey is KXPDMXOUDMHSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11-17-18-14(19-11)10-16-15(12-6-2-3-7-12)13-8-4-5-9-13/h12-13,15-16H,2-10H2,1H3.
What are the key properties of 1,1-dicyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine?
1,1-dicyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine has a molecular weight of 263.38 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopentyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine is sourced from PubChem (CID 86789362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).