N-[(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine

C11H20N2O — CID 162446498

IUPACN-[(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine
SMILESCC(C)N1C2CCC[C@@H]1C/C(=N/O)C2
InChIInChI=1S/C11H20N2O/c1-8(2)13-10-4-3-5-11(13)7-9(6-10)12-14/h8,10-11,14H,3-7H2,1-2H3/b12-9-/t10-,11?/m1/s1
InChIKeyKVZSUBBCJXAPFS-HZJJUHHJSA-N
MW196.29 g/mol
LogP2.24
Rot. Bonds1

About N-[(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine

N-[(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine (PubChem CID 162446498) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N-[(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine.

Molecular Properties

Compound NameN-[(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine
PubChem CID162446498
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN-[(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine
SMILESCC(C)N1C2CCC[C@@H]1C/C(=N/O)C2
InChIInChI=1S/C11H20N2O/c1-8(2)13-10-4-3-5-11(13)7-9(6-10)12-14/h8,10-11,14H,3-7H2,1-2H3/b12-9-/t10-,11?/m1/s1
InChIKeyKVZSUBBCJXAPFS-HZJJUHHJSA-N
XLogP2.24
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine?
The IUPAC name of N-[(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine (CID 162446498) is N-[(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine.
What is the SMILES notation for N-[(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine?
The canonical SMILES for N-[(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine is CC(C)N1C2CCC[C@@H]1C/C(=N/O)C2.
What is the InChIKey of N-[(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine?
The InChIKey is KVZSUBBCJXAPFS-HZJJUHHJSA-N. The full InChI is InChI=1S/C11H20N2O/c1-8(2)13-10-4-3-5-11(13)7-9(6-10)12-14/h8,10-11,14H,3-7H2,1-2H3/b12-9-/t10-,11?/m1/s1.
What are the key properties of N-[(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine?
N-[(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine has a molecular weight of 196.29 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5R)-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ylidene]hydroxylamine is sourced from PubChem (CID 162446498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).