(2R)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene

C15H25N — CID 53243674

IUPAC(2R)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene
SMILESCCCC[C@@H]1CCCCCCc2cc1c[nH]2
InChIInChI=1S/C15H25N/c1-2-3-8-13-9-6-4-5-7-10-15-11-14(13)12-16-15/h11-13,16H,2-10H2,1H3/t13-/m1/s1
InChIKeyMWNUYJYLSHPECH-CYBMUJFWSA-N
MW219.37 g/mol
LogP4.80
Rot. Bonds3

About (2R)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene

(2R)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene (PubChem CID 53243674) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is (2R)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene.

Molecular Properties

Compound Name(2R)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene
PubChem CID53243674
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name(2R)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene
SMILESCCCC[C@@H]1CCCCCCc2cc1c[nH]2
InChIInChI=1S/C15H25N/c1-2-3-8-13-9-6-4-5-7-10-15-11-14(13)12-16-15/h11-13,16H,2-10H2,1H3/t13-/m1/s1
InChIKeyMWNUYJYLSHPECH-CYBMUJFWSA-N
XLogP4.80
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene?
The IUPAC name of (2R)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene (CID 53243674) is (2R)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene.
What is the SMILES notation for (2R)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene?
The canonical SMILES for (2R)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene is CCCC[C@@H]1CCCCCCc2cc1c[nH]2.
What is the InChIKey of (2R)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene?
The InChIKey is MWNUYJYLSHPECH-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H25N/c1-2-3-8-13-9-6-4-5-7-10-15-11-14(13)12-16-15/h11-13,16H,2-10H2,1H3/t13-/m1/s1.
What are the key properties of (2R)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene?
(2R)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene has a molecular weight of 219.37 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-butyl-10-azabicyclo[7.2.1]dodeca-1(11),9(12)-diene is sourced from PubChem (CID 53243674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).