N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide

C15H29N3O — CID 65471067

IUPACN-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
SMILESCCC(C)NC(=O)CNC1CC2CCCC(C1)N2C
InChIInChI=1S/C15H29N3O/c1-4-11(2)17-15(19)10-16-12-8-13-6-5-7-14(9-12)18(13)3/h11-14,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyDWHHVEXYGIUXMA-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.51
Rot. Bonds5

About N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide

N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide (PubChem CID 65471067) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
PubChem CID65471067
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC NameN-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
SMILESCCC(C)NC(=O)CNC1CC2CCCC(C1)N2C
InChIInChI=1S/C15H29N3O/c1-4-11(2)17-15(19)10-16-12-8-13-6-5-7-14(9-12)18(13)3/h11-14,16H,4-10H2,1-3H3,(H,17,19)
InChIKeyDWHHVEXYGIUXMA-UHFFFAOYSA-N
XLogP1.51
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetic acid
CID 65470865
N-methyl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-N-propan-2-ylacetamide
CID 65470299
N,N-diethyl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
CID 65473146
N-butan-2-yl-9-methyl-9-azabicyclo[3.3.1]nonan-3-amine
CID 65471043
N-(2-methoxyethyl)-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide
CID 65471257
N-butan-2-yl-2-[(2,3-dimethylcyclohexyl)amino]acetamide
CID 43180085
N-[2-(butan-2-ylamino)-2-oxoethyl]cyclobutanecarboxamide
CID 112990807
N-pentan-2-yl-2-[(1-propylpiperidin-4-yl)amino]acetamide
CID 60695886
N-butan-2-yl-2-[(2-methoxycyclopentyl)amino]acetamide
CID 62087337
2-(cyclobutylamino)-N-pentan-3-ylacetamide
CID 62413978
2-(cycloheptylamino)-N-pentan-2-ylacetamide
CID 60688089
2-(cyclohexylamino)-N-pentan-2-ylacetamide
CID 60683795

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide?
The IUPAC name of N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide (CID 65471067) is N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide?
The canonical SMILES for N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide is CCC(C)NC(=O)CNC1CC2CCCC(C1)N2C.
What is the InChIKey of N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide?
The InChIKey is DWHHVEXYGIUXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-4-11(2)17-15(19)10-16-12-8-13-6-5-7-14(9-12)18(13)3/h11-14,16H,4-10H2,1-3H3,(H,17,19).
What are the key properties of N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide?
N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide has a molecular weight of 267.42 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]acetamide is sourced from PubChem (CID 65471067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).