2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide

C13H27N3O — CID 62007946

IUPAC2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CC)C1(CN)CCCC1
InChIInChI=1S/C13H27N3O/c1-3-9-15-12(17)10-16(4-2)13(11-14)7-5-6-8-13/h3-11,14H2,1-2H3,(H,15,17)
InChIKeyWZMLDCIQAPGGMD-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.11
Rot. Bonds7

About 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide

2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide (PubChem CID 62007946) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide
PubChem CID62007946
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(CC)C1(CN)CCCC1
InChIInChI=1S/C13H27N3O/c1-3-9-15-12(17)10-16(4-2)13(11-14)7-5-6-8-13/h3-11,14H2,1-2H3,(H,15,17)
InChIKeyWZMLDCIQAPGGMD-UHFFFAOYSA-N
XLogP1.11
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)cyclohexyl]-propylamino]-N-propylacetamide
CID 62006019
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide
CID 62008536
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide
CID 62007529
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide
CID 62008327
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-butylacetamide
CID 62004897
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide
CID 62007948
2-[[1-(aminomethyl)cyclopentyl]-propylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 62009544
2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide
CID 62006572
3-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-ethylpropanamide
CID 55061632
2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone
CID 62006174
2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide
CID 62007739
1-(aminomethyl)-N,N-diethylcyclododecan-1-amine
CID 29278476

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide?
The IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide (CID 62007946) is 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide?
The canonical SMILES for 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide is CCCNC(=O)CN(CC)C1(CN)CCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide?
The InChIKey is WZMLDCIQAPGGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-3-9-15-12(17)10-16(4-2)13(11-14)7-5-6-8-13/h3-11,14H2,1-2H3,(H,15,17).
What are the key properties of 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide?
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide has a molecular weight of 241.38 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide is sourced from PubChem (CID 62007946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).