2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide

C15H31N3O — CID 54873874

IUPAC2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide
SMILESCCC(C)NCC(=O)N(CCN(C)C)C1CCCC1
InChIInChI=1S/C15H31N3O/c1-5-13(2)16-12-15(19)18(11-10-17(3)4)14-8-6-7-9-14/h13-14,16H,5-12H2,1-4H3
InChIKeyIYDMSUKKLTVTDA-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.71
Rot. Bonds8

About 2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide

2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide (PubChem CID 54873874) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide
PubChem CID54873874
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide
SMILESCCC(C)NCC(=O)N(CCN(C)C)C1CCCC1
InChIInChI=1S/C15H31N3O/c1-5-13(2)16-12-15(19)18(11-10-17(3)4)14-8-6-7-9-14/h13-14,16H,5-12H2,1-4H3
InChIKeyIYDMSUKKLTVTDA-UHFFFAOYSA-N
XLogP1.71
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide (CID 54873874) is 2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide is CCC(C)NCC(=O)N(CCN(C)C)C1CCCC1.
What is the InChIKey of 2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide?
The InChIKey is IYDMSUKKLTVTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-13(2)16-12-15(19)18(11-10-17(3)4)14-8-6-7-9-14/h13-14,16H,5-12H2,1-4H3.
What are the key properties of 2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide?
2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide has a molecular weight of 269.43 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-cyclopentyl-N-[2-(dimethylamino)ethyl]acetamide is sourced from PubChem (CID 54873874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).