2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide

C16H33N3O — CID 62782488

IUPAC2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SMILESCC(C)N(CCNC(=O)CC1CCCCC1N)C(C)C
InChIInChI=1S/C16H33N3O/c1-12(2)19(13(3)4)10-9-18-16(20)11-14-7-5-6-8-15(14)17/h12-15H,5-11,17H2,1-4H3,(H,18,20)
InChIKeySPBHFMSCSGPCIC-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.13
Rot. Bonds7

About 2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide

2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide (PubChem CID 62782488) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide.

Molecular Properties

Compound Name2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
PubChem CID62782488
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide
SMILESCC(C)N(CCNC(=O)CC1CCCCC1N)C(C)C
InChIInChI=1S/C16H33N3O/c1-12(2)19(13(3)4)10-9-18-16(20)11-14-7-5-6-8-15(14)17/h12-15H,5-11,17H2,1-4H3,(H,18,20)
InChIKeySPBHFMSCSGPCIC-UHFFFAOYSA-N
XLogP2.13
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminocyclohexyl)-N-[2-[2-methoxyethyl(methyl)amino]ethyl]acetamide
CID 62849411
2-[(1S,2R)-2-aminocyclopentyl]-N-ethylacetamide
CID 130759051
2-(2-aminocyclohexyl)-N-[2-(dimethylamino)-2-oxoethyl]acetamide
CID 62782342
2-cyclohexyl-N-[2-[[N-[2-[di(propan-2-yl)amino]ethyl]-N'-methylcarbamimidoyl]amino]ethyl]acetamide;hydroiodide
CID 111248352
3-(3-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]propanamide
CID 80693936
2-(2-aminocyclohexyl)-N-(2-cyclohexyloxyethyl)acetamide
CID 63834168
N-[2-(dimethylamino)ethyl]-2-[(1R,2R)-2-(2-methylpropanoyl)cyclohexyl]acetamide
CID 163738986
2-(2-aminocyclohexyl)-N-(4-methylpentan-2-yl)acetamide
CID 62781340
1-cyclohexyl-3-[2-[di(propan-2-yl)amino]ethyl]urea
CID 115569818
2-[[2-(2-aminocyclohexyl)acetyl]amino]-N-ethylpropanamide
CID 55117202
N-[2-[di(propan-2-yl)amino]ethyl]-3-oxobutanamide
CID 18071565
3-amino-N-[2-[di(propan-2-yl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119828819

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The IUPAC name of 2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide (CID 62782488) is 2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide.
What is the SMILES notation for 2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The canonical SMILES for 2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide is CC(C)N(CCNC(=O)CC1CCCCC1N)C(C)C.
What is the InChIKey of 2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
The InChIKey is SPBHFMSCSGPCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-12(2)19(13(3)4)10-9-18-16(20)11-14-7-5-6-8-15(14)17/h12-15H,5-11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide?
2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide has a molecular weight of 283.46 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminocyclohexyl)-N-[2-[di(propan-2-yl)amino]ethyl]acetamide is sourced from PubChem (CID 62782488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).