2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide

C15H31N3O — CID 62008536

IUPAC2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide
SMILESCCN(CC(=O)NCCC(C)C)C1(CN)CCCC1
InChIInChI=1S/C15H31N3O/c1-4-18(15(12-16)8-5-6-9-15)11-14(19)17-10-7-13(2)3/h13H,4-12,16H2,1-3H3,(H,17,19)
InChIKeyIMAJEJQIWXBSJT-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.74
Rot. Bonds8

About 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide

2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide (PubChem CID 62008536) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide
PubChem CID62008536
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide
SMILESCCN(CC(=O)NCCC(C)C)C1(CN)CCCC1
InChIInChI=1S/C15H31N3O/c1-4-18(15(12-16)8-5-6-9-15)11-14(19)17-10-7-13(2)3/h13H,4-12,16H2,1-3H3,(H,17,19)
InChIKeyIMAJEJQIWXBSJT-UHFFFAOYSA-N
XLogP1.74
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)-4-methylcyclohexyl]-ethylamino]-N-(3-methylbutyl)acetamide
CID 62006572
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-propylacetamide
CID 62007946
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 62004877
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)cyclohexyl]-propylamino]-N-propylacetamide
CID 62006019
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-ethylamino]-N-(2-methylpropyl)acetamide
CID 62008317
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-cyclohexylacetamide
CID 62007948
2-[[1-(aminomethyl)-3-methylcyclohexyl]-ethylamino]-N-butylacetamide
CID 62004897
2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide
CID 62007739
3-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-ethylpropanamide
CID 55061632
2-[[1-(aminomethyl)cyclohexyl]-ethylamino]-1-(azepan-1-yl)ethanone
CID 62006174

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide?
The IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide (CID 62008536) is 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide?
The canonical SMILES for 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide is CCN(CC(=O)NCCC(C)C)C1(CN)CCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide?
The InChIKey is IMAJEJQIWXBSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-4-18(15(12-16)8-5-6-9-15)11-14(19)17-10-7-13(2)3/h13H,4-12,16H2,1-3H3,(H,17,19).
What are the key properties of 2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide?
2-[[1-(aminomethyl)cyclopentyl]-ethylamino]-N-(3-methylbutyl)acetamide has a molecular weight of 269.43 g/mol, XLogP of 1.74, 8 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-(3-methylbutyl)acetamide is sourced from PubChem (CID 62008536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).