8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C15H30N2 — CID 62738581

IUPAC8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2C(C)C(C)C
InChIInChI=1S/C15H30N2/c1-5-8-16-13-9-14-6-7-15(10-13)17(14)12(4)11(2)3/h11-16H,5-10H2,1-4H3
InChIKeyCNKOQANBAQWNPK-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds5

About 8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 62738581) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound Name8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID62738581
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCNC1CC2CCC(C1)N2C(C)C(C)C
InChIInChI=1S/C15H30N2/c1-5-8-16-13-9-14-6-7-15(10-13)17(14)12(4)11(2)3/h11-16H,5-10H2,1-4H3
InChIKeyCNKOQANBAQWNPK-UHFFFAOYSA-N
XLogP3.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of 8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 62738581) is 8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for 8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for 8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCNC1CC2CCC(C1)N2C(C)C(C)C.
What is the InChIKey of 8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is CNKOQANBAQWNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-5-8-16-13-9-14-6-7-15(10-13)17(14)12(4)11(2)3/h11-16H,5-10H2,1-4H3.
What are the key properties of 8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-methylbutan-2-yl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 62738581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).