2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

C10H18N2 — CID 59418261

IUPAC2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2CC1CC1
InChIInChI=1S/C10H18N2/c1-11-6-10-4-9(11)7-12(10)5-8-2-3-8/h8-10H,2-7H2,1H3
InChIKeyPLHLCDVPPYKWQI-UHFFFAOYSA-N
MW166.27 g/mol
LogP0.78
Rot. Bonds2

About 2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane

2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 59418261) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
PubChem CID59418261
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane
SMILESCN1CC2CC1CN2CC1CC1
InChIInChI=1S/C10H18N2/c1-11-6-10-4-9(11)7-12(10)5-8-2-3-8/h8-10H,2-7H2,1H3
InChIKeyPLHLCDVPPYKWQI-UHFFFAOYSA-N
XLogP0.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane (CID 59418261) is 2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is CN1CC2CC1CN2CC1CC1.
What is the InChIKey of 2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is PLHLCDVPPYKWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-11-6-10-4-9(11)7-12(10)5-8-2-3-8/h8-10H,2-7H2,1H3.
What are the key properties of 2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane?
2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 166.27 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-methyl-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 59418261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).