N-methyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine

C12H22N2 — CID 62712213

IUPACN-methyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESC=CCN1C2CCCC1CC(NC)C2
InChIInChI=1S/C12H22N2/c1-3-7-14-11-5-4-6-12(14)9-10(8-11)13-2/h3,10-13H,1,4-9H2,2H3
InChIKeyWOSJPQIRBQUIDX-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.78
Rot. Bonds3

About N-methyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine

N-methyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 62712213) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-methyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID62712213
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-methyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine
SMILESC=CCN1C2CCCC1CC(NC)C2
InChIInChI=1S/C12H22N2/c1-3-7-14-11-5-4-6-12(14)9-10(8-11)13-2/h3,10-13H,1,4-9H2,2H3
InChIKeyWOSJPQIRBQUIDX-UHFFFAOYSA-N
XLogP1.78
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine (CID 62712213) is N-methyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine is C=CCN1C2CCCC1CC(NC)C2.
What is the InChIKey of N-methyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is WOSJPQIRBQUIDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-7-14-11-5-4-6-12(14)9-10(8-11)13-2/h3,10-13H,1,4-9H2,2H3.
What are the key properties of N-methyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 194.32 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-prop-2-enyl-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 62712213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).