2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide

C17H33N3O — CID 103441903

IUPAC2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)CN1CCC(C)CC1CN)C1CCCCC1
InChIInChI=1S/C17H33N3O/c1-3-20(15-7-5-4-6-8-15)17(21)13-19-10-9-14(2)11-16(19)12-18/h14-16H,3-13,18H2,1-2H3
InChIKeyJMMCACGZXQVOCP-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.23
Rot. Bonds5

About 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide (PubChem CID 103441903) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide
PubChem CID103441903
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide
SMILESCCN(C(=O)CN1CCC(C)CC1CN)C1CCCCC1
InChIInChI=1S/C17H33N3O/c1-3-20(15-7-5-4-6-8-15)17(21)13-19-10-9-14(2)11-16(19)12-18/h14-16H,3-13,18H2,1-2H3
InChIKeyJMMCACGZXQVOCP-UHFFFAOYSA-N
XLogP2.23
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-methylacetamide
CID 103441770
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropyl-N-methylacetamide
CID 63839894
2-[2-(aminomethyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 63760499
N-cyclohexyl-N-ethyl-2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]acetamide
CID 78942251
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(cyclopenten-1-yl)-N-ethylacetamide
CID 103442062
N-cyclohexyl-N-ethyl-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]acetamide
CID 102788933
N-cyclopropyl-N-ethyl-2-[2-(2-hydroxypropyl)piperidin-1-yl]acetamide
CID 114338146
2-(3-amino-5-methylpiperidin-1-yl)-N-cyclohexyl-N-ethylacetamide
CID 79992651
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclopropylacetamide
CID 63840502
2-[2-(3-aminopropyl)pyrrolidin-1-yl]-N-cyclopropyl-N-ethylacetamide
CID 55243372
2-[2-(aminomethyl)piperidin-1-yl]-N,N-diethylacetamide;hydrochloride
CID 120869605
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-(propan-2-ylcarbamoyl)acetamide
CID 103442104

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide?
The IUPAC name of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide (CID 103441903) is 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide.
What is the SMILES notation for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide?
The canonical SMILES for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide is CCN(C(=O)CN1CCC(C)CC1CN)C1CCCCC1.
What is the InChIKey of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide?
The InChIKey is JMMCACGZXQVOCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-3-20(15-7-5-4-6-8-15)17(21)13-19-10-9-14(2)11-16(19)12-18/h14-16H,3-13,18H2,1-2H3.
What are the key properties of 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide?
2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide has a molecular weight of 295.47 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-N-cyclohexyl-N-ethylacetamide is sourced from PubChem (CID 103441903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).