3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane

C14H28N2 — CID 121400501

IUPAC3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane
SMILESCC(C)N1CC2CCCC(C1)N(C(C)C)C2
InChIInChI=1S/C14H28N2/c1-11(2)15-8-13-6-5-7-14(10-15)16(9-13)12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyAMEICNSRZDQDJR-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.59
Rot. Bonds2

About 3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane

3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane (PubChem CID 121400501) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is 3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane.

Molecular Properties

Compound Name3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane
PubChem CID121400501
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane
SMILESCC(C)N1CC2CCCC(C1)N(C(C)C)C2
InChIInChI=1S/C14H28N2/c1-11(2)15-8-13-6-5-7-14(10-15)16(9-13)12(3)4/h11-14H,5-10H2,1-4H3
InChIKeyAMEICNSRZDQDJR-UHFFFAOYSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane?
The IUPAC name of 3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane (CID 121400501) is 3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane.
What is the SMILES notation for 3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane?
The canonical SMILES for 3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane is CC(C)N1CC2CCCC(C1)N(C(C)C)C2.
What is the InChIKey of 3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane?
The InChIKey is AMEICNSRZDQDJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)15-8-13-6-5-7-14(10-15)16(9-13)12(3)4/h11-14H,5-10H2,1-4H3.
What are the key properties of 3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane?
3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane has a molecular weight of 224.39 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-di(propan-2-yl)-3,9-diazabicyclo[3.3.2]decane is sourced from PubChem (CID 121400501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).