N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide

C17H33N3O — CID 78915214

IUPACN-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
SMILESCN(C)C1(CNCC(=O)NC2CCCCCC2)CCCC1
InChIInChI=1S/C17H33N3O/c1-20(2)17(11-7-8-12-17)14-18-13-16(21)19-15-9-5-3-4-6-10-15/h15,18H,3-14H2,1-2H3,(H,19,21)
InChIKeyLSCHAVBKQZYPGS-UHFFFAOYSA-N
MW295.47 g/mol
LogP2.29
Rot. Bonds6

About N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide

N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide (PubChem CID 78915214) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
PubChem CID78915214
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC NameN-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide
SMILESCN(C)C1(CNCC(=O)NC2CCCCCC2)CCCC1
InChIInChI=1S/C17H33N3O/c1-20(2)17(11-7-8-12-17)14-18-13-16(21)19-15-9-5-3-4-6-10-15/h15,18H,3-14H2,1-2H3,(H,19,21)
InChIKeyLSCHAVBKQZYPGS-UHFFFAOYSA-N
XLogP2.29
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide?
The IUPAC name of N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide (CID 78915214) is N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide?
The canonical SMILES for N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide is CN(C)C1(CNCC(=O)NC2CCCCCC2)CCCC1.
What is the InChIKey of N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide?
The InChIKey is LSCHAVBKQZYPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-20(2)17(11-7-8-12-17)14-18-13-16(21)19-15-9-5-3-4-6-10-15/h15,18H,3-14H2,1-2H3,(H,19,21).
What are the key properties of N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide?
N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide has a molecular weight of 295.47 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[[1-(dimethylamino)cyclopentyl]methylamino]acetamide is sourced from PubChem (CID 78915214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).