2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]butanamide

C10H21N3O — CID 102784918

IUPAC2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCC(C)C1CN
InChIInChI=1S/C10H21N3O/c1-3-8(10(12)14)13-5-4-7(2)9(13)6-11/h7-9H,3-6,11H2,1-2H3,(H2,12,14)
InChIKeyRYFHIQPIDRCQQV-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.08
Rot. Bonds4

About 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]butanamide

2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]butanamide (PubChem CID 102784918) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]butanamide.

Molecular Properties

Compound Name2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]butanamide
PubChem CID102784918
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCC(C)C1CN
InChIInChI=1S/C10H21N3O/c1-3-8(10(12)14)13-5-4-7(2)9(13)6-11/h7-9H,3-6,11H2,1-2H3,(H2,12,14)
InChIKeyRYFHIQPIDRCQQV-UHFFFAOYSA-N
XLogP-0.08
TPSA72.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(aminomethyl)-5-methylmorpholin-4-yl]butanamide
CID 81217216
N'-hydroxy-2-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]butanimidamide
CID 102781445
1-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]ethanone
CID 102783447
2-(2-ethylazepan-1-yl)butanamide
CID 104691437
(2S)-2-(2-propylpyrrolidin-1-yl)butanamide
CID 154632136
2-[4-(1-amino-1-oxobutan-2-yl)-6-hydroxy-1,4-diazepan-1-yl]butanamide
CID 136518009
[1-(1-aminobutan-2-yl)-3-methylpyrrolidin-2-yl]methanol
CID 102778109
2-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]butanamide
CID 62900480
2-[1-(1-amino-1-oxobutan-2-yl)piperidin-2-yl]acetic acid
CID 62900440
3-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-methylbutanoic acid
CID 79414421
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)butanamide
CID 62900474
[3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine
CID 102784417

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]butanamide?
The IUPAC name of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]butanamide (CID 102784918) is 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]butanamide.
What is the SMILES notation for 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]butanamide?
The canonical SMILES for 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]butanamide is CCC(C(N)=O)N1CCC(C)C1CN.
What is the InChIKey of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]butanamide?
The InChIKey is RYFHIQPIDRCQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-3-8(10(12)14)13-5-4-7(2)9(13)6-11/h7-9H,3-6,11H2,1-2H3,(H2,12,14).
What are the key properties of 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]butanamide?
2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]butanamide has a molecular weight of 199.30 g/mol, XLogP of -0.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-3-methylpyrrolidin-1-yl]butanamide is sourced from PubChem (CID 102784918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).