N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide

C16H29N3O — CID 81490380

IUPACN-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide
SMILESCN(C(=O)CN1CCC2CCC(C1)N2)C1CCCCC1
InChIInChI=1S/C16H29N3O/c1-18(15-5-3-2-4-6-15)16(20)12-19-10-9-13-7-8-14(11-19)17-13/h13-15,17H,2-12H2,1H3
InChIKeyDFQFPYSCWYVFLF-UHFFFAOYSA-N
MW279.43 g/mol
LogP1.60
Rot. Bonds3

About N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide

N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide (PubChem CID 81490380) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide
PubChem CID81490380
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC NameN-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide
SMILESCN(C(=O)CN1CCC2CCC(C1)N2)C1CCCCC1
InChIInChI=1S/C16H29N3O/c1-18(15-5-3-2-4-6-15)16(20)12-19-10-9-13-7-8-14(11-19)17-13/h13-15,17H,2-12H2,1H3
InChIKeyDFQFPYSCWYVFLF-UHFFFAOYSA-N
XLogP1.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-N-methyl-2-piperazin-1-ylacetamide
CID 43267406
N-cyclohexyl-2-(3,5-dimethylpiperazin-1-yl)-N-methylacetamide
CID 63872577
N-cyclohexyl-N-methyl-2-(3-methylpiperazin-1-yl)acetamide
CID 65448637
2-[4-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperazin-1-yl]acetic acid
CID 43521865
N-cyclohexyl-N-methyl-2-[4-(methylamino)piperidin-1-yl]acetamide;hydrochloride
CID 119923321
1-(azocan-1-yl)-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)ethanone
CID 81491129
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-1-(2,6-dimethylpiperidin-1-yl)ethanone;hydrochloride
CID 119927631
2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methyl-N-phenylacetamide;hydrochloride
CID 119927602
2-[1-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]piperidin-3-yl]acetic acid
CID 62690107
N-cyclopropyl-2-[(3R)-3-hydroxypyrrolidin-1-yl]-N-methylacetamide
CID 78963664
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclooctyl-N-methylacetamide;hydrochloride
CID 119763862
N-cyclopropyl-2-[3-(hydroxymethyl)piperidin-1-yl]-N-methylacetamide
CID 62022148

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide?
The IUPAC name of N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide (CID 81490380) is N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide.
What is the SMILES notation for N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide?
The canonical SMILES for N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide is CN(C(=O)CN1CCC2CCC(C1)N2)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide?
The InChIKey is DFQFPYSCWYVFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-18(15-5-3-2-4-6-15)16(20)12-19-10-9-13-7-8-14(11-19)17-13/h13-15,17H,2-12H2,1H3.
What are the key properties of N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide?
N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide has a molecular weight of 279.43 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(3,9-diazabicyclo[4.2.1]nonan-3-yl)-N-methylacetamide is sourced from PubChem (CID 81490380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).