N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide

C12H25N3O — CID 122080556

IUPACN-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide
SMILESCCC(CC)(CN)NC(=O)CC1CCCN1
InChIInChI=1S/C12H25N3O/c1-3-12(4-2,9-13)15-11(16)8-10-6-5-7-14-10/h10,14H,3-9,13H2,1-2H3,(H,15,16)
InChIKeyQQOVOALGKXUBKU-UHFFFAOYSA-N
MW227.35 g/mol
LogP0.76
Rot. Bonds6

About N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide

N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide (PubChem CID 122080556) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide.

Molecular Properties

Compound NameN-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide
PubChem CID122080556
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC NameN-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide
SMILESCCC(CC)(CN)NC(=O)CC1CCCN1
InChIInChI=1S/C12H25N3O/c1-3-12(4-2,9-13)15-11(16)8-10-6-5-7-14-10/h10,14H,3-9,13H2,1-2H3,(H,15,16)
InChIKeyQQOVOALGKXUBKU-UHFFFAOYSA-N
XLogP0.76
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-methylpentan-3-yl)-2-pyrrolidin-2-ylacetamide
CID 103811397
N-(1-amino-2,3-dimethylbutan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 122080717
N-(1-amino-2,4-dimethylpentan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 122080673
N-(2-methylpentan-2-yl)-2-pyrrolidin-2-ylacetamide
CID 115738895
ethyl 2-methyl-2-[(2-pyrrolidin-2-ylacetyl)amino]propanoate
CID 119772513
N-tert-butyl-2-piperidin-2-ylacetamide
CID 43151334
N-methyl-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 66778094
N-methyl-2-[(2R)-pyrrolidin-2-yl]acetamide
CID 66776546
N-[3-(aminomethyl)pentan-3-yl]-2-(8-azabicyclo[3.2.1]octan-3-yl)acetamide
CID 122080565
N-(2-ethyl-2-methylsulfanylbutyl)-2-pyrrolidin-2-ylacetamide
CID 103812569
N-carbamoyl-2-pyrrolidin-2-ylacetamide
CID 79195265
N-(3-aminopropyl)-2-pyrrolidin-2-ylacetamide
CID 61366460

Frequently Asked Questions

What is the IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide?
The IUPAC name of N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide (CID 122080556) is N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide.
What is the SMILES notation for N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide?
The canonical SMILES for N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide is CCC(CC)(CN)NC(=O)CC1CCCN1.
What is the InChIKey of N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide?
The InChIKey is QQOVOALGKXUBKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-12(4-2,9-13)15-11(16)8-10-6-5-7-14-10/h10,14H,3-9,13H2,1-2H3,(H,15,16).
What are the key properties of N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide?
N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide has a molecular weight of 227.35 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(aminomethyl)pentan-3-yl]-2-pyrrolidin-2-ylacetamide is sourced from PubChem (CID 122080556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).