(2S)-1-(3-azabicyclo[3.3.1]nonan-3-yl)-N-methylpropan-2-amine

C12H24N2 — CID 130564079

IUPAC(2S)-1-(3-azabicyclo[3.3.1]nonan-3-yl)-N-methylpropan-2-amine
SMILESCN[C@@H](C)CN1CC2CCCC(C2)C1
InChIInChI=1S/C12H24N2/c1-10(13-2)7-14-8-11-4-3-5-12(6-11)9-14/h10-13H,3-9H2,1-2H3/t10-,11?,12?/m0/s1
InChIKeyAUJMLKUSUDLVPP-UNXYVOJBSA-N
MW196.34 g/mol
LogP1.72
Rot. Bonds3

About (2S)-1-(3-azabicyclo[3.3.1]nonan-3-yl)-N-methylpropan-2-amine

(2S)-1-(3-azabicyclo[3.3.1]nonan-3-yl)-N-methylpropan-2-amine (PubChem CID 130564079) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (2S)-1-(3-azabicyclo[3.3.1]nonan-3-yl)-N-methylpropan-2-amine.

Molecular Properties

Compound Name(2S)-1-(3-azabicyclo[3.3.1]nonan-3-yl)-N-methylpropan-2-amine
PubChem CID130564079
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(2S)-1-(3-azabicyclo[3.3.1]nonan-3-yl)-N-methylpropan-2-amine
SMILESCN[C@@H](C)CN1CC2CCCC(C2)C1
InChIInChI=1S/C12H24N2/c1-10(13-2)7-14-8-11-4-3-5-12(6-11)9-14/h10-13H,3-9H2,1-2H3/t10-,11?,12?/m0/s1
InChIKeyAUJMLKUSUDLVPP-UNXYVOJBSA-N
XLogP1.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(3-azabicyclo[3.3.1]nonan-3-yl)-N-methylpropan-2-amine?
The IUPAC name of (2S)-1-(3-azabicyclo[3.3.1]nonan-3-yl)-N-methylpropan-2-amine (CID 130564079) is (2S)-1-(3-azabicyclo[3.3.1]nonan-3-yl)-N-methylpropan-2-amine.
What is the SMILES notation for (2S)-1-(3-azabicyclo[3.3.1]nonan-3-yl)-N-methylpropan-2-amine?
The canonical SMILES for (2S)-1-(3-azabicyclo[3.3.1]nonan-3-yl)-N-methylpropan-2-amine is CN[C@@H](C)CN1CC2CCCC(C2)C1.
What is the InChIKey of (2S)-1-(3-azabicyclo[3.3.1]nonan-3-yl)-N-methylpropan-2-amine?
The InChIKey is AUJMLKUSUDLVPP-UNXYVOJBSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(13-2)7-14-8-11-4-3-5-12(6-11)9-14/h10-13H,3-9H2,1-2H3/t10-,11?,12?/m0/s1.
What are the key properties of (2S)-1-(3-azabicyclo[3.3.1]nonan-3-yl)-N-methylpropan-2-amine?
(2S)-1-(3-azabicyclo[3.3.1]nonan-3-yl)-N-methylpropan-2-amine has a molecular weight of 196.34 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(3-azabicyclo[3.3.1]nonan-3-yl)-N-methylpropan-2-amine is sourced from PubChem (CID 130564079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).