(2Z)-2-ethylidene-3,7-diazabicyclo[3.3.1]nonane

C9H16N2 — CID 143552658

IUPAC(2Z)-2-ethylidene-3,7-diazabicyclo[3.3.1]nonane
SMILESC/C=C1\NCC2CNCC1C2
InChIInChI=1S/C9H16N2/c1-2-9-8-3-7(5-11-9)4-10-6-8/h2,7-8,10-11H,3-6H2,1H3/b9-2-
InChIKeyNVPPOURXJCQOEH-MBXJOHMKSA-N
MW152.24 g/mol
LogP0.72
Rot. Bonds

About (2Z)-2-ethylidene-3,7-diazabicyclo[3.3.1]nonane

(2Z)-2-ethylidene-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 143552658) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (2Z)-2-ethylidene-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(2Z)-2-ethylidene-3,7-diazabicyclo[3.3.1]nonane
PubChem CID143552658
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(2Z)-2-ethylidene-3,7-diazabicyclo[3.3.1]nonane
SMILESC/C=C1\NCC2CNCC1C2
InChIInChI=1S/C9H16N2/c1-2-9-8-3-7(5-11-9)4-10-6-8/h2,7-8,10-11H,3-6H2,1H3/b9-2-
InChIKeyNVPPOURXJCQOEH-MBXJOHMKSA-N
XLogP0.72
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-ethylidene-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of (2Z)-2-ethylidene-3,7-diazabicyclo[3.3.1]nonane (CID 143552658) is (2Z)-2-ethylidene-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for (2Z)-2-ethylidene-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for (2Z)-2-ethylidene-3,7-diazabicyclo[3.3.1]nonane is C/C=C1\NCC2CNCC1C2.
What is the InChIKey of (2Z)-2-ethylidene-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is NVPPOURXJCQOEH-MBXJOHMKSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-9-8-3-7(5-11-9)4-10-6-8/h2,7-8,10-11H,3-6H2,1H3/b9-2-.
What are the key properties of (2Z)-2-ethylidene-3,7-diazabicyclo[3.3.1]nonane?
(2Z)-2-ethylidene-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 152.24 g/mol, XLogP of 0.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-ethylidene-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 143552658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).