6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane

C9H18N2 — CID 122534334

IUPAC6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)N1CC2CC(C1)N2C
InChIInChI=1S/C9H18N2/c1-7(2)11-5-8-4-9(6-11)10(8)3/h7-9H,4-6H2,1-3H3
InChIKeyISTVXZJZTUAHDN-UHFFFAOYSA-N
MW154.26 g/mol
LogP0.78
Rot. Bonds1

About 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane

6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 122534334) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
PubChem CID122534334
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane
SMILESCC(C)N1CC2CC(C1)N2C
InChIInChI=1S/C9H18N2/c1-7(2)11-5-8-4-9(6-11)10(8)3/h7-9H,4-6H2,1-3H3
InChIKeyISTVXZJZTUAHDN-UHFFFAOYSA-N
XLogP0.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane (CID 122534334) is 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane is CC(C)N1CC2CC(C1)N2C.
What is the InChIKey of 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is ISTVXZJZTUAHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-7(2)11-5-8-4-9(6-11)10(8)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane?
6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 154.26 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 122534334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).