N-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine

C11H22N2 — CID 83817171

IUPACN-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine
SMILESCC(C)NC1CCN2CCCC1C2
InChIInChI=1S/C11H22N2/c1-9(2)12-11-5-7-13-6-3-4-10(11)8-13/h9-12H,3-8H2,1-2H3
InChIKeyPBRFYZVFMLUYEK-UHFFFAOYSA-N
MW182.31 g/mol
LogP1.47
Rot. Bonds2

About N-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine

N-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine (PubChem CID 83817171) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is N-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine.

Molecular Properties

Compound NameN-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine
PubChem CID83817171
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC NameN-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine
SMILESCC(C)NC1CCN2CCCC1C2
InChIInChI=1S/C11H22N2/c1-9(2)12-11-5-7-13-6-3-4-10(11)8-13/h9-12H,3-8H2,1-2H3
InChIKeyPBRFYZVFMLUYEK-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-propan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 20628086
N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364480
N-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364641
N-(1-azabicyclo[3.3.1]nonan-4-yl)propanamide
CID 130934342
N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364511
N-[(1R)-1-(4-bromophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 114985358
N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364802
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide
CID 105363972
N-[1-(2,6-difluorophenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364354
N-[1-(4-methylsulfanylphenyl)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105364028
1-azabicyclo[3.2.1]octan-4-ylhydrazine
CID 105365386
(4R)-1-azabicyclo[3.3.1]nonan-4-amine
CID 14502093

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine?
The IUPAC name of N-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine (CID 83817171) is N-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine.
What is the SMILES notation for N-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine?
The canonical SMILES for N-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine is CC(C)NC1CCN2CCCC1C2.
What is the InChIKey of N-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine?
The InChIKey is PBRFYZVFMLUYEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2/c1-9(2)12-11-5-7-13-6-3-4-10(11)8-13/h9-12H,3-8H2,1-2H3.
What are the key properties of N-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine?
N-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine has a molecular weight of 182.31 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine is sourced from PubChem (CID 83817171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).