2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide

C16H31N3O2 — CID 104677901

IUPAC2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)N(C)C)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C16H31N3O2/c1-4-10-19(12-15(21)18(2)3)14(20)11-16(13-17)8-6-5-7-9-16/h4-13,17H2,1-3H3
InChIKeyGNGPMGYGZPBKAX-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.61
Rot. Bonds7

About 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide

2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide (PubChem CID 104677901) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
PubChem CID104677901
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide
SMILESCCCN(CC(=O)N(C)C)C(=O)CC1(CN)CCCCC1
InChIInChI=1S/C16H31N3O2/c1-4-10-19(12-15(21)18(2)3)14(20)11-16(13-17)8-6-5-7-9-16/h4-13,17H2,1-3H3
InChIKeyGNGPMGYGZPBKAX-UHFFFAOYSA-N
XLogP1.61
TPSA66.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide (CID 104677901) is 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide is CCCN(CC(=O)N(C)C)C(=O)CC1(CN)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide?
The InChIKey is GNGPMGYGZPBKAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-4-10-19(12-15(21)18(2)3)14(20)11-16(13-17)8-6-5-7-9-16/h4-13,17H2,1-3H3.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide?
2-[1-(aminomethyl)cyclohexyl]-N-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide has a molecular weight of 297.44 g/mol, XLogP of 1.61, 7 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-[2-(dimethylamino)-2-oxoethyl]-N-propylacetamide is sourced from PubChem (CID 104677901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).