N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine

C13H24N2 — CID 114619140

IUPACN-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESC=C(C)CN1C2CCCC1CC(NC)C2
InChIInChI=1S/C13H24N2/c1-10(2)9-15-12-5-4-6-13(15)8-11(7-12)14-3/h11-14H,1,4-9H2,2-3H3
InChIKeyTUEMZTAODFMTMP-UHFFFAOYSA-N
MW208.35 g/mol
LogP2.17
Rot. Bonds3

About N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine

N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine (PubChem CID 114619140) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine.

Molecular Properties

Compound NameN-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine
PubChem CID114619140
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC NameN-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine
SMILESC=C(C)CN1C2CCCC1CC(NC)C2
InChIInChI=1S/C13H24N2/c1-10(2)9-15-12-5-4-6-13(15)8-11(7-12)14-3/h11-14H,1,4-9H2,2-3H3
InChIKeyTUEMZTAODFMTMP-UHFFFAOYSA-N
XLogP2.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 52.17
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-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The IUPAC name of N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine (CID 114619140) is N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine.
What is the SMILES notation for N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The canonical SMILES for N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine is C=C(C)CN1C2CCCC1CC(NC)C2.
What is the InChIKey of N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine?
The InChIKey is TUEMZTAODFMTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2/c1-10(2)9-15-12-5-4-6-13(15)8-11(7-12)14-3/h11-14H,1,4-9H2,2-3H3.
What are the key properties of N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine?
N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine has a molecular weight of 208.35 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-9-(2-methylprop-2-enyl)-9-azabicyclo[3.3.1]nonan-3-amine is sourced from PubChem (CID 114619140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).