2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide

C16H25N3O — CID 104677611

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCN(Cc1ccncc1)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C16H25N3O/c1-19(12-14-5-9-18-10-6-14)15(20)11-16(13-17)7-3-2-4-8-16/h5-6,9-10H,2-4,7-8,11-13,17H2,1H3
InChIKeyADASMHMZJXHCHX-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.34
Rot. Bonds5

About 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide

2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide (PubChem CID 104677611) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide
PubChem CID104677611
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide
SMILESCN(Cc1ccncc1)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C16H25N3O/c1-19(12-14-5-9-18-10-6-14)15(20)11-16(13-17)7-3-2-4-8-16/h5-6,9-10H,2-4,7-8,11-13,17H2,1H3
InChIKeyADASMHMZJXHCHX-UHFFFAOYSA-N
XLogP2.34
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cotinine
CID 854019
Disopyramide
CID 3114
Norcotinine
CID 413
Daporinad
CID 6914657
(+-)-Cotinine
CID 408
Ximelegatran
CID 448042
Enisamium Iodide
CID 10089466
(1Z)-5-Fluoro-2-methyl-N-(phenylmethyl)-1-(4-pyridinylmethylene)-1H-indene-3-acetamide hydrochloride (1:1)
CID 6445781
Mono-N-dealkyldisopyramide
CID 107858
Vamicamide
CID 65967
Rogletimide
CID 56487
3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide (CID 104677611) is 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide is CN(Cc1ccncc1)C(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide?
The InChIKey is ADASMHMZJXHCHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-19(12-14-5-9-18-10-6-14)15(20)11-16(13-17)7-3-2-4-8-16/h5-6,9-10H,2-4,7-8,11-13,17H2,1H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide?
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide has a molecular weight of 275.40 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-4-ylmethyl)acetamide is sourced from PubChem (CID 104677611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).