(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)azanide

C9H17N2- — CID 58830971

IUPAC(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)azanide
SMILESCN1CC2CCCC(C1)C2[NH-]
InChIInChI=1S/C9H17N2/c1-11-5-7-3-2-4-8(6-11)9(7)10/h7-10H,2-6H2,1H3/q-1
InChIKeyJMYRQGVPEIKFNO-UHFFFAOYSA-N
MW153.25 g/mol
LogP1.77
Rot. Bonds

About (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)azanide

(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)azanide (PubChem CID 58830971) has the molecular formula C9H17N2- and a molecular weight of 153.25 g/mol. Its IUPAC name is (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)azanide.

Molecular Properties

Compound Name(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)azanide
PubChem CID58830971
Molecular FormulaC9H17N2-
Molecular Weight153.25 g/mol
Exact Mass153.14
IUPAC Name(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)azanide
SMILESCN1CC2CCCC(C1)C2[NH-]
InChIInChI=1S/C9H17N2/c1-11-5-7-3-2-4-8(6-11)9(7)10/h7-10H,2-6H2,1H3/q-1
InChIKeyJMYRQGVPEIKFNO-UHFFFAOYSA-N
XLogP1.77
TPSA27.04 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.25
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)azanide?
The IUPAC name of (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)azanide (CID 58830971) is (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)azanide.
What is the SMILES notation for (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)azanide?
The canonical SMILES for (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)azanide is CN1CC2CCCC(C1)C2[NH-].
What is the InChIKey of (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)azanide?
The InChIKey is JMYRQGVPEIKFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2/c1-11-5-7-3-2-4-8(6-11)9(7)10/h7-10H,2-6H2,1H3/q-1.
What are the key properties of (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)azanide?
(3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)azanide has a molecular weight of 153.25 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-3-azabicyclo[3.3.1]nonan-9-yl)azanide is sourced from PubChem (CID 58830971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).