N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine

C12H24N2O — CID 135134845

IUPACN-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine
SMILESCCC(C)NC(C)(C)N1CC2CC1CO2
InChIInChI=1S/C12H24N2O/c1-5-9(2)13-12(3,4)14-7-11-6-10(14)8-15-11/h9-11,13H,5-8H2,1-4H3
InChIKeyXBKYITHSWBTZTQ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.58
Rot. Bonds4

About N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine

N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine (PubChem CID 135134845) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine.

Molecular Properties

Compound NameN-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine
PubChem CID135134845
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine
SMILESCCC(C)NC(C)(C)N1CC2CC1CO2
InChIInChI=1S/C12H24N2O/c1-5-9(2)13-12(3,4)14-7-11-6-10(14)8-15-11/h9-11,13H,5-8H2,1-4H3
InChIKeyXBKYITHSWBTZTQ-UHFFFAOYSA-N
XLogP1.58
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine?
The IUPAC name of N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine (CID 135134845) is N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine.
What is the SMILES notation for N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine?
The canonical SMILES for N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine is CCC(C)NC(C)(C)N1CC2CC1CO2.
What is the InChIKey of N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine?
The InChIKey is XBKYITHSWBTZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-9(2)13-12(3,4)14-7-11-6-10(14)8-15-11/h9-11,13H,5-8H2,1-4H3.
What are the key properties of N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine?
N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine has a molecular weight of 212.34 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)propan-2-yl]butan-2-amine is sourced from PubChem (CID 135134845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).