2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide

C16H31N3O — CID 102639901

IUPAC2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
SMILESCN(CC(=O)NC1CCCCCC1)C1CCCCC1N
InChIInChI=1S/C16H31N3O/c1-19(15-11-7-6-10-14(15)17)12-16(20)18-13-8-4-2-3-5-9-13/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyHQIJBQOJAXOBPB-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.03
Rot. Bonds4

About 2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide

2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide (PubChem CID 102639901) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
PubChem CID102639901
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
SMILESCN(CC(=O)NC1CCCCCC1)C1CCCCC1N
InChIInChI=1S/C16H31N3O/c1-19(15-11-7-6-10-14(15)17)12-16(20)18-13-8-4-2-3-5-9-13/h13-15H,2-12,17H2,1H3,(H,18,20)
InChIKeyHQIJBQOJAXOBPB-UHFFFAOYSA-N
XLogP2.03
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide?
The IUPAC name of 2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide (CID 102639901) is 2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide.
What is the SMILES notation for 2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide?
The canonical SMILES for 2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide is CN(CC(=O)NC1CCCCCC1)C1CCCCC1N.
What is the InChIKey of 2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide?
The InChIKey is HQIJBQOJAXOBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-19(15-11-7-6-10-14(15)17)12-16(20)18-13-8-4-2-3-5-9-13/h13-15H,2-12,17H2,1H3,(H,18,20).
What are the key properties of 2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide?
2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide has a molecular weight of 281.44 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide is sourced from PubChem (CID 102639901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).