N-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine

C12H24N2O — CID 105364641

IUPACN-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCOCCC(C)NC1CCN2CCC1C2
InChIInChI=1S/C12H24N2O/c1-10(5-8-15-2)13-12-4-7-14-6-3-11(12)9-14/h10-13H,3-9H2,1-2H3
InChIKeyLILAVRMEGSUJTA-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds5

About N-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine

N-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364641) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364641
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCOCCC(C)NC1CCN2CCC1C2
InChIInChI=1S/C12H24N2O/c1-10(5-8-15-2)13-12-4-7-14-6-3-11(12)9-14/h10-13H,3-9H2,1-2H3
InChIKeyLILAVRMEGSUJTA-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine with MolForge

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Related Compounds

N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364511
N-(3-methylpentan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364480
N-(2-methoxyethoxy)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364804
N-(3-methoxy-2-methylpropyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364526
N-pentan-2-yl-1-azabicyclo[2.2.2]octan-3-amine
CID 43195141
N-propan-2-yl-1-azabicyclo[3.3.1]nonan-4-amine
CID 83817171
N-(2-methylpropoxy)-1-azabicyclo[3.2.1]octan-4-amine
CID 105364802
N-(4-methoxybutan-2-yl)-1-propan-2-ylpyrrolidin-3-amine
CID 64605853
N-(1-pyrrolidin-1-ylpropan-2-yl)-1-azabicyclo[2.2.2]octan-3-amine
CID 61471660
N-[3-(2-methylpropoxy)propyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105363775
[2-(4-methoxybutan-2-ylamino)cyclohexyl]methanol
CID 115722501
2-(1-azabicyclo[3.2.1]octan-4-ylamino)-N-propylpropanamide
CID 105363972

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105364641) is N-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine is COCCC(C)NC1CCN2CCC1C2.
What is the InChIKey of N-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is LILAVRMEGSUJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(5-8-15-2)13-12-4-7-14-6-3-11(12)9-14/h10-13H,3-9H2,1-2H3.
What are the key properties of N-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine?
N-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).