N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide

C16H30N2O — CID 62679594

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide
SMILESCCCN(C(=O)C(C)(C)CC)C1CC2CCC(C1)N2
InChIInChI=1S/C16H30N2O/c1-5-9-18(15(19)16(3,4)6-2)14-10-12-7-8-13(11-14)17-12/h12-14,17H,5-11H2,1-4H3
InChIKeyVBXIPQKLLKTGFV-UHFFFAOYSA-N
MW266.43 g/mol
LogP2.94
Rot. Bonds5

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide (PubChem CID 62679594) has the molecular formula C16H30N2O and a molecular weight of 266.43 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide
PubChem CID62679594
Molecular FormulaC16H30N2O
Molecular Weight266.43 g/mol
Exact Mass266.24
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide
SMILESCCCN(C(=O)C(C)(C)CC)C1CC2CCC(C1)N2
InChIInChI=1S/C16H30N2O/c1-5-9-18(15(19)16(3,4)6-2)14-10-12-7-8-13(11-14)17-12/h12-14,17H,5-11H2,1-4H3
InChIKeyVBXIPQKLLKTGFV-UHFFFAOYSA-N
XLogP2.94
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.43
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide (CID 62679594) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide is CCCN(C(=O)C(C)(C)CC)C1CC2CCC(C1)N2.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide?
The InChIKey is VBXIPQKLLKTGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O/c1-5-9-18(15(19)16(3,4)6-2)14-10-12-7-8-13(11-14)17-12/h12-14,17H,5-11H2,1-4H3.
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide has a molecular weight of 266.43 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2,2-dimethyl-N-propylbutanamide is sourced from PubChem (CID 62679594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).