2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide

C13H27N3O — CID 62010140

IUPAC2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(C)C1(CN)CCCC1
InChIInChI=1S/C13H27N3O/c1-4-11(2)15-12(17)9-16(3)13(10-14)7-5-6-8-13/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyHOXFIKHVIQNXBX-UHFFFAOYSA-N
MW241.38 g/mol
LogP1.10
Rot. Bonds6

About 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide

2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide (PubChem CID 62010140) has the molecular formula C13H27N3O and a molecular weight of 241.38 g/mol. Its IUPAC name is 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide.

Molecular Properties

Compound Name2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide
PubChem CID62010140
Molecular FormulaC13H27N3O
Molecular Weight241.38 g/mol
Exact Mass241.22
IUPAC Name2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide
SMILESCCC(C)NC(=O)CN(C)C1(CN)CCCC1
InChIInChI=1S/C13H27N3O/c1-4-11(2)15-12(17)9-16(3)13(10-14)7-5-6-8-13/h11H,4-10,14H2,1-3H3,(H,15,17)
InChIKeyHOXFIKHVIQNXBX-UHFFFAOYSA-N
XLogP1.10
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N-ethylacetamide
CID 62008520
2-[[1-(aminomethyl)-4-ethylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62008910
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-pentan-2-ylacetamide
CID 62008327
3-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-propan-2-ylpropanamide
CID 55098337
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-N-(3-methylbutyl)acetamide
CID 62004877
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-methyl-N-propan-2-ylacetamide
CID 62010543
2-[[1-(aminomethyl)cycloheptyl]-ethylamino]-N-propan-2-ylacetamide
CID 62007529
2-[[1-(aminomethyl)-3-methylcyclohexyl]-methylamino]-N-propan-2-ylacetamide
CID 62006956
2-[[1-(aminomethyl)cycloheptyl]-propylamino]-N-propan-2-ylacetamide
CID 62007739
2-[[1-(aminomethyl)cycloheptyl]-methylamino]-N,N-diethylacetamide
CID 62008324
2-[[1-(aminomethyl)cyclohexyl]-methylamino]-1-piperidin-1-ylethanone
CID 62004874
2-[1-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]cyclohexyl]acetic acid
CID 65243385

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide?
The IUPAC name of 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide (CID 62010140) is 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide.
What is the SMILES notation for 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide?
The canonical SMILES for 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide is CCC(C)NC(=O)CN(C)C1(CN)CCCC1.
What is the InChIKey of 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide?
The InChIKey is HOXFIKHVIQNXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3O/c1-4-11(2)15-12(17)9-16(3)13(10-14)7-5-6-8-13/h11H,4-10,14H2,1-3H3,(H,15,17).
What are the key properties of 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide?
2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide has a molecular weight of 241.38 g/mol, XLogP of 1.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(aminomethyl)cyclopentyl]-methylamino]-N-butan-2-ylacetamide is sourced from PubChem (CID 62010140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).