N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide

C16H31N3O — CID 61240808

IUPACN,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
SMILESCC(C)N1CC2CCCC(C1)C2NCCC(=O)N(C)C
InChIInChI=1S/C16H31N3O/c1-12(2)19-10-13-6-5-7-14(11-19)16(13)17-9-8-15(20)18(3)4/h12-14,16-17H,5-11H2,1-4H3
InChIKeyBLWXDJMEBCBQSU-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.56
Rot. Bonds5

About N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide

N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide (PubChem CID 61240808) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
PubChem CID61240808
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC NameN,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide
SMILESCC(C)N1CC2CCCC(C1)C2NCCC(=O)N(C)C
InChIInChI=1S/C16H31N3O/c1-12(2)19-10-13-6-5-7-14(11-19)16(13)17-9-8-15(20)18(3)4/h12-14,16-17H,5-11H2,1-4H3
InChIKeyBLWXDJMEBCBQSU-UHFFFAOYSA-N
XLogP1.56
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide (CID 61240808) is N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide is CC(C)N1CC2CCCC(C1)C2NCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide?
The InChIKey is BLWXDJMEBCBQSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-12(2)19-10-13-6-5-7-14(11-19)16(13)17-9-8-15(20)18(3)4/h12-14,16-17H,5-11H2,1-4H3.
What are the key properties of N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide?
N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl)amino]propanamide is sourced from PubChem (CID 61240808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).