N,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide

C15H24N4O — CID 86910482

IUPACN,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide
SMILESCN(CC(=O)N(CCC#N)CCC#N)C1CCCCC1
InChIInChI=1S/C15H24N4O/c1-18(14-7-3-2-4-8-14)13-15(20)19(11-5-9-16)12-6-10-17/h14H,2-8,11-13H2,1H3
InChIKeyCRZQKRUKUYSXCI-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.91
Rot. Bonds7

About N,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide

N,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide (PubChem CID 86910482) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide.

Molecular Properties

Compound NameN,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide
PubChem CID86910482
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide
SMILESCN(CC(=O)N(CCC#N)CCC#N)C1CCCCC1
InChIInChI=1S/C15H24N4O/c1-18(14-7-3-2-4-8-14)13-15(20)19(11-5-9-16)12-6-10-17/h14H,2-8,11-13H2,1H3
InChIKeyCRZQKRUKUYSXCI-UHFFFAOYSA-N
XLogP1.91
TPSA71.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyanoethyl)-N-methyl-2-[methyl(pyrrolidin-3-yl)amino]acetamide
CID 63301635
3-cyano-N-cyclopentyl-N-methylpropanamide
CID 115173721
N,N-bis(2-cyanoethyl)-2-(dipropylamino)acetamide
CID 21354456
ethyl 2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]acetate
CID 62011813
N-(2-cyanoethyl)-N-(2-methoxyethyl)cycloheptanecarboxamide
CID 55167313
2-[cycloheptyl(methyl)amino]acetic acid
CID 43409736
N-(2-cyanoethyl)-2-cycloheptyl-N-cyclopropylacetamide
CID 115680039
N-(3-aminopropyl)-2-[cycloheptyl(methyl)amino]-N-methylacetamide
CID 43613858
N-(2-cyanoethyl)-3-[cyclopentyl(ethyl)amino]-N-methylpropanamide
CID 43541122
N-(2-cyanoethyl)-N-cyclopentylpentanamide
CID 98014383
N,N,N',N'-tetrakis(2-cyanoethyl)butanediamide
CID 15084880
N,N-bis(2-cyanoethyl)-2-[2-(4-methoxyphenyl)azepan-1-yl]acetamide
CID 60570471

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide?
The IUPAC name of N,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide (CID 86910482) is N,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide.
What is the SMILES notation for N,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide?
The canonical SMILES for N,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide is CN(CC(=O)N(CCC#N)CCC#N)C1CCCCC1.
What is the InChIKey of N,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide?
The InChIKey is CRZQKRUKUYSXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-18(14-7-3-2-4-8-14)13-15(20)19(11-5-9-16)12-6-10-17/h14H,2-8,11-13H2,1H3.
What are the key properties of N,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide?
N,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide has a molecular weight of 276.38 g/mol, XLogP of 1.91, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-cyanoethyl)-2-[cyclohexyl(methyl)amino]acetamide is sourced from PubChem (CID 86910482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).