2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide

C15H27N5O — CID 115290396

IUPAC2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCN(C)C1(CNC(=O)C(N)c2cnn(C)c2)CCCCC1
InChIInChI=1S/C15H27N5O/c1-19(2)15(7-5-4-6-8-15)11-17-14(21)13(16)12-9-18-20(3)10-12/h9-10,13H,4-8,11,16H2,1-3H3,(H,17,21)
InChIKeyOJPWCSJWVAPCIW-UHFFFAOYSA-N
MW293.41 g/mol
LogP0.80
Rot. Bonds5

About 2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide

2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide (PubChem CID 115290396) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
PubChem CID115290396
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
SMILESCN(C)C1(CNC(=O)C(N)c2cnn(C)c2)CCCCC1
InChIInChI=1S/C15H27N5O/c1-19(2)15(7-5-4-6-8-15)11-17-14(21)13(16)12-9-18-20(3)10-12/h9-10,13H,4-8,11,16H2,1-3H3,(H,17,21)
InChIKeyOJPWCSJWVAPCIW-UHFFFAOYSA-N
XLogP0.80
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 115436333
2-amino-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115360077
2-amino-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide
CID 115290976
(2S)-2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-phenylacetamide
CID 104897629
2-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]acetic acid
CID 115290299
N-(2-acetamidoethyl)-2-amino-2-(1-methylpyrazol-4-yl)acetamide
CID 113279811
2-amino-N-but-3-ynyl-2-(1-methylpyrazol-4-yl)acetamide
CID 115290756
2-amino-N-(3-aminopropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115290433
2-amino-N-(3-ethyl-2-hydroxypentyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 106286706
5-[[2-amino-2-(1-methylpyrazol-4-yl)acetyl]amino]pentanamide
CID 114162023
2-amino-2-(1-methylpyrazol-4-yl)-N-(2-propan-2-yloxyethyl)acetamide
CID 104761168
2-amino-N-(3-ethoxypropyl)-2-(1-methylpyrazol-4-yl)acetamide
CID 115289645

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide (CID 115290396) is 2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide is CN(C)C1(CNC(=O)C(N)c2cnn(C)c2)CCCCC1.
What is the InChIKey of 2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is OJPWCSJWVAPCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-19(2)15(7-5-4-6-8-15)11-17-14(21)13(16)12-9-18-20(3)10-12/h9-10,13H,4-8,11,16H2,1-3H3,(H,17,21).
What are the key properties of 2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide?
2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 293.41 g/mol, XLogP of 0.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 115290396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).