3-[1-(2-methylpropyl)azetidin-3-yl]-3,9-diazabicyclo[3.3.2]decane

C15H29N3 — CID 155656097

IUPAC3-[1-(2-methylpropyl)azetidin-3-yl]-3,9-diazabicyclo[3.3.2]decane
SMILESCC(C)CN1CC(N2CC3CCCC(C2)NC3)C1
InChIInChI=1S/C15H29N3/c1-12(2)7-17-10-15(11-17)18-8-13-4-3-5-14(9-18)16-6-13/h12-16H,3-11H2,1-2H3
InChIKeyKKFAFEYTYZFIBB-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.40
Rot. Bonds3

About 3-[1-(2-methylpropyl)azetidin-3-yl]-3,9-diazabicyclo[3.3.2]decane

3-[1-(2-methylpropyl)azetidin-3-yl]-3,9-diazabicyclo[3.3.2]decane (PubChem CID 155656097) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 3-[1-(2-methylpropyl)azetidin-3-yl]-3,9-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name3-[1-(2-methylpropyl)azetidin-3-yl]-3,9-diazabicyclo[3.3.2]decane
PubChem CID155656097
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name3-[1-(2-methylpropyl)azetidin-3-yl]-3,9-diazabicyclo[3.3.2]decane
SMILESCC(C)CN1CC(N2CC3CCCC(C2)NC3)C1
InChIInChI=1S/C15H29N3/c1-12(2)7-17-10-15(11-17)18-8-13-4-3-5-14(9-18)16-6-13/h12-16H,3-11H2,1-2H3
InChIKeyKKFAFEYTYZFIBB-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylpropyl)azetidin-3-yl]-3,9-diazabicyclo[3.3.2]decane?
The IUPAC name of 3-[1-(2-methylpropyl)azetidin-3-yl]-3,9-diazabicyclo[3.3.2]decane (CID 155656097) is 3-[1-(2-methylpropyl)azetidin-3-yl]-3,9-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 3-[1-(2-methylpropyl)azetidin-3-yl]-3,9-diazabicyclo[3.3.2]decane?
The canonical SMILES for 3-[1-(2-methylpropyl)azetidin-3-yl]-3,9-diazabicyclo[3.3.2]decane is CC(C)CN1CC(N2CC3CCCC(C2)NC3)C1.
What is the InChIKey of 3-[1-(2-methylpropyl)azetidin-3-yl]-3,9-diazabicyclo[3.3.2]decane?
The InChIKey is KKFAFEYTYZFIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-12(2)7-17-10-15(11-17)18-8-13-4-3-5-14(9-18)16-6-13/h12-16H,3-11H2,1-2H3.
What are the key properties of 3-[1-(2-methylpropyl)azetidin-3-yl]-3,9-diazabicyclo[3.3.2]decane?
3-[1-(2-methylpropyl)azetidin-3-yl]-3,9-diazabicyclo[3.3.2]decane has a molecular weight of 251.42 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylpropyl)azetidin-3-yl]-3,9-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 155656097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).