2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide

C12H24N2O2 — CID 115359705

IUPAC2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCC1(CO)CCCC1
InChIInChI=1S/C12H24N2O2/c1-2-7-14-11(16)8-13-9-12(10-15)5-3-4-6-12/h13,15H,2-10H2,1H3,(H,14,16)
InChIKeyOOLQFYROXDKHRS-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.65
Rot. Bonds7

About 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide

2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide (PubChem CID 115359705) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide
PubChem CID115359705
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide
SMILESCCCNC(=O)CNCC1(CO)CCCC1
InChIInChI=1S/C12H24N2O2/c1-2-7-14-11(16)8-13-9-12(10-15)5-3-4-6-12/h13,15H,2-10H2,1H3,(H,14,16)
InChIKeyOOLQFYROXDKHRS-UHFFFAOYSA-N
XLogP0.65
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-(2-methoxyethyl)acetamide
CID 113293821
methyl 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetate
CID 115359540
ethane;N-[[1-(hydroxymethyl)cyclobutyl]methyl]propanamide
CID 171523205
N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 110292524
methyl 2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetate
CID 81411374
N,N-diethyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetamide
CID 113293782
2-[[N-[(1-ethylcyclobutyl)methyl]-N'-methylcarbamimidoyl]amino]-N-propylacetamide
CID 109469065
N-[(1-methylcyclopentyl)methyl]-2-(propylamino)acetamide
CID 63829967
N-[(1-hydroxycyclopentyl)methyl]-2-(propylamino)acetamide
CID 65106366
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclopentyl]methylamino]acetamide
CID 115359623
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 112699710
N-cyclohexyl-2-[[1-(hydroxymethyl)cyclohexyl]methylamino]acetamide
CID 103966529

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide (CID 115359705) is 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide is CCCNC(=O)CNCC1(CO)CCCC1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide?
The InChIKey is OOLQFYROXDKHRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-2-7-14-11(16)8-13-9-12(10-15)5-3-4-6-12/h13,15H,2-10H2,1H3,(H,14,16).
What are the key properties of 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide?
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide has a molecular weight of 228.34 g/mol, XLogP of 0.65, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-N-propylacetamide is sourced from PubChem (CID 115359705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).