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

C11H22N2 — CID 126752892

IUPAC3-propan-2-yl-6-propyl-3,6-diazabicyclo[3.1.1]heptane
SMILESCCCN1C2CC1CN(C(C)C)C2
InChIInChI=1S/C11H22N2/c1-4-5-13-10-6-11(13)8-12(7-10)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyVKXOOPZQZQTSFB-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.56
Rot. Bonds3

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

3-propan-2-yl-6-propyl-3,6-diazabicyclo[3.1.1]heptane (PubChem CID 126752892) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is 3-propan-2-yl-6-propyl-3,6-diazabicyclo[3.1.1]heptane.

Molecular Properties

Compound Name3-propan-2-yl-6-propyl-3,6-diazabicyclo[3.1.1]heptane
PubChem CID126752892
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Name3-propan-2-yl-6-propyl-3,6-diazabicyclo[3.1.1]heptane
SMILESCCCN1C2CC1CN(C(C)C)C2
InChIInChI=1S/C11H22N2/c1-4-5-13-10-6-11(13)8-12(7-10)9(2)3/h9-11H,4-8H2,1-3H3
InChIKeyVKXOOPZQZQTSFB-UHFFFAOYSA-N
XLogP1.56
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 ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-6-propyl-3,6-diazabicyclo[3.1.1]heptane?
The IUPAC name of 3-propan-2-yl-6-propyl-3,6-diazabicyclo[3.1.1]heptane (CID 126752892) is 3-propan-2-yl-6-propyl-3,6-diazabicyclo[3.1.1]heptane.
What is the SMILES notation for 3-propan-2-yl-6-propyl-3,6-diazabicyclo[3.1.1]heptane?
The canonical SMILES for 3-propan-2-yl-6-propyl-3,6-diazabicyclo[3.1.1]heptane is CCCN1C2CC1CN(C(C)C)C2.
What is the InChIKey of 3-propan-2-yl-6-propyl-3,6-diazabicyclo[3.1.1]heptane?
The InChIKey is VKXOOPZQZQTSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-4-5-13-10-6-11(13)8-12(7-10)9(2)3/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-propan-2-yl-6-propyl-3,6-diazabicyclo[3.1.1]heptane?
3-propan-2-yl-6-propyl-3,6-diazabicyclo[3.1.1]heptane has a molecular weight of 182.31 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-6-propyl-3,6-diazabicyclo[3.1.1]heptane is sourced from PubChem (CID 126752892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).