4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide

C10H21N3O — CID 63891241

IUPAC4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCN1CCC(CN)C1
InChIInChI=1S/C10H21N3O/c1-12-10(14)3-2-5-13-6-4-9(7-11)8-13/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyIDRSVRKJBYKXQI-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.21
Rot. Bonds5

About 4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide

4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide (PubChem CID 63891241) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide.

Molecular Properties

Compound Name4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide
PubChem CID63891241
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide
SMILESCNC(=O)CCCN1CCC(CN)C1
InChIInChI=1S/C10H21N3O/c1-12-10(14)3-2-5-13-6-4-9(7-11)8-13/h9H,2-8,11H2,1H3,(H,12,14)
InChIKeyIDRSVRKJBYKXQI-UHFFFAOYSA-N
XLogP-0.21
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-[(3R)-3-(2-methylpropyl)pyrrolidin-1-yl]propanamide
CID 96566413
N-methyl-4-[4-(methylamino)piperidin-1-yl]butanamide
CID 63891147
N-(2-aminoethyl)-1-[4-(methylamino)-4-oxobutyl]piperidine-3-carboxamide
CID 63891883
4-(3-hydroxypiperidin-1-yl)-N-methylbutanamide
CID 63892540
6-[3-(aminomethyl)pyrrolidin-1-yl]hexan-1-ol
CID 103815424
[(3S)-1-butylpyrrolidin-3-yl]methanamine
CID 42257234
4-[3-(aminomethyl)pyrrolidin-1-yl]-1-morpholin-4-ylbutan-1-one
CID 62063781
N-methyl-4-[3-(propylaminomethyl)piperidin-1-yl]butanamide
CID 63890612
N-[2-[3-(aminomethyl)pyrrolidin-1-yl]ethyl]acetamide
CID 62062527
N-methyl-4-[(3S)-3-methylpiperazin-1-yl]butanamide
CID 104976946
2-[3-(2-aminoethyl)pyrrolidin-1-yl]-N-methylacetamide
CID 114802503
4-[4-(5-aminopentyl)-1,4-diazepan-1-yl]-N-methylbutanamide
CID 63892034

Frequently Asked Questions

What is the IUPAC name of 4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide?
The IUPAC name of 4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide (CID 63891241) is 4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide.
What is the SMILES notation for 4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide?
The canonical SMILES for 4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide is CNC(=O)CCCN1CCC(CN)C1.
What is the InChIKey of 4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide?
The InChIKey is IDRSVRKJBYKXQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-12-10(14)3-2-5-13-6-4-9(7-11)8-13/h9H,2-8,11H2,1H3,(H,12,14).
What are the key properties of 4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide?
4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide has a molecular weight of 199.30 g/mol, XLogP of -0.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(aminomethyl)pyrrolidin-1-yl]-N-methylbutanamide is sourced from PubChem (CID 63891241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).