N-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide

C13H27N3O — CID 82938571

IUPACN-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide
SMILESCC(CN(C)C)NCC(=O)NC1CCCCC1
InChIInChI=1S/C13H27N3O/c1-11(10-16(2)3)14-9-13(17)15-12-7-5-4-6-8-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyWNYAEQUAEOMLSE-UHFFFAOYSA-N
MW241.38 g/mol
LogP0.98
Rot. Bonds6

About N-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide

N-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide (PubChem CID 82938571) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is N-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide
PubChem CID82938571
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC NameN-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide
SMILESCC(CN(C)C)NCC(=O)NC1CCCCC1
InChIInChI=1S/C13H27N3O/c1-11(10-16(2)3)14-9-13(17)15-12-7-5-4-6-8-12/h11-12,14H,4-10H2,1-3H3,(H,15,17)
InChIKeyWNYAEQUAEOMLSE-UHFFFAOYSA-N
XLogP0.98
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-(1-hydroxypropan-2-ylamino)acetamide
CID 62573821
(2R)-2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoic acid
CID 83194051
N-cyclopentyl-2-(4-hydroxybutan-2-ylamino)acetamide
CID 83177425
N-cyclohexyl-2-(1-methylsulfonylpropan-2-ylamino)acetamide
CID 64643777
2-[[2-(cyclopentylamino)-2-oxoethyl]amino]-N-cyclopropylpropanamide
CID 113248238
methyl 2-[[2-(cyclohexylamino)-2-oxoethyl]amino]propanoate
CID 60691118
1-cyclopentyl-3-[1-(dimethylamino)propan-2-yl]urea
CID 116657212
N-cyclopentyl-2-(1-pyrrolidin-1-ylpropan-2-ylamino)acetamide
CID 54952745
N-cyclohexyl-2-[5-(diethylamino)pentan-2-ylamino]acetamide
CID 43179866
2-(but-3-yn-2-ylamino)-N-cyclohexylacetamide
CID 114416819
2-[[2-(cyclohexylamino)-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468322
N-cyclohexyl-2-(1,3-dihydroxypropan-2-ylamino)acetamide
CID 65313308

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide?
The IUPAC name of N-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide (CID 82938571) is N-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide is CC(CN(C)C)NCC(=O)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide?
The InChIKey is WNYAEQUAEOMLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-11(10-16(2)3)14-9-13(17)15-12-7-5-4-6-8-12/h11-12,14H,4-10H2,1-3H3,(H,15,17).
What are the key properties of N-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide?
N-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide has a molecular weight of 241.38 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[1-(dimethylamino)propan-2-ylamino]acetamide is sourced from PubChem (CID 82938571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).