2-methyl-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane

C11H22N2 — CID 59229824

IUPAC2-methyl-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)CCN1CC2CC1CN2C
InChIInChI=1S/C11H22N2/c1-9(2)4-5-13-8-10-6-11(13)7-12(10)3/h9-11H,4-8H2,1-3H3
InChIKeyLAIZTZAVIDCQQL-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.42
Rot. Bonds3

About 2-methyl-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane

2-methyl-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane (PubChem CID 59229824) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 2-methyl-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-methyl-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane
PubChem CID59229824
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name2-methyl-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane
SMILESCC(C)CCN1CC2CC1CN2C
InChIInChI=1S/C11H22N2/c1-9(2)4-5-13-8-10-6-11(13)7-12(10)3/h9-11H,4-8H2,1-3H3
InChIKeyLAIZTZAVIDCQQL-UHFFFAOYSA-N
XLogP1.42
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane?
The IUPAC name of 2-methyl-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane (CID 59229824) is 2-methyl-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane.
What is the SMILES notation for 2-methyl-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane?
The canonical SMILES for 2-methyl-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane is CC(C)CCN1CC2CC1CN2C.
What is the InChIKey of 2-methyl-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane?
The InChIKey is LAIZTZAVIDCQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)4-5-13-8-10-6-11(13)7-12(10)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 2-methyl-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane?
2-methyl-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane has a molecular weight of 182.31 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(3-methylbutyl)-2,5-diazabicyclo[2.2.1]heptane is sourced from PubChem (CID 59229824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).