4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide

C12H25N3O — CID 115302442

IUPAC4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCN1CC[C@H](N)C1
InChIInChI=1S/C12H25N3O/c1-3-15(4-2)12(16)6-5-8-14-9-7-11(13)10-14/h11H,3-10,13H2,1-2H3/t11-/m0/s1
InChIKeyMVDAXMQHQDIDHV-NSHDSACASA-N
MW227.35 g/mol
LogP0.67
Rot. Bonds6

About 4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide

4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide (PubChem CID 115302442) has the molecular formula C12H25N3O and a molecular weight of 227.35 g/mol. Its IUPAC name is 4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide.

Molecular Properties

Compound Name4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide
PubChem CID115302442
Molecular FormulaC12H25N3O
Molecular Weight227.35 g/mol
Exact Mass227.20
IUPAC Name4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide
SMILESCCN(CC)C(=O)CCCN1CC[C@H](N)C1
InChIInChI=1S/C12H25N3O/c1-3-15(4-2)12(16)6-5-8-14-9-7-11(13)10-14/h11H,3-10,13H2,1-2H3/t11-/m0/s1
InChIKeyMVDAXMQHQDIDHV-NSHDSACASA-N
XLogP0.67
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-amino-3-ethylpiperidin-1-yl)-N,N-diethylbutanamide
CID 81458870
2-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylacetamide
CID 115302487
1-[4-(diethylamino)-4-oxobutyl]pyrrolidine-3-carboxylic acid
CID 63031858
6-(3-aminopyrrolidin-1-yl)hexan-3-one
CID 106801405
4-(3-aminopyrrolidin-1-yl)butanoic acid
CID 62069212
N,N-diethyl-4-[3-(2-hydroxyethyl)piperidin-1-yl]butanamide
CID 62356650
4-[2-(aminomethyl)morpholin-4-yl]-N,N-diethylbutanamide
CID 114398814
methyl (3S)-1-[4-(diethylamino)-4-oxobutyl]piperidine-3-carboxylate
CID 115537485
(3S)-1-heptylpyrrolidin-3-amine
CID 81491543
(3S)-1-nonylpyrrolidin-3-amine
CID 115302510
1-butylpyrrolidin-3-amine;dihydrochloride
CID 146675552
(3R)-1-[3-(dimethylamino)propyl]pyrrolidin-3-amine
CID 92916692

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide?
The IUPAC name of 4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide (CID 115302442) is 4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide.
What is the SMILES notation for 4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide?
The canonical SMILES for 4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide is CCN(CC)C(=O)CCCN1CC[C@H](N)C1.
What is the InChIKey of 4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide?
The InChIKey is MVDAXMQHQDIDHV-NSHDSACASA-N. The full InChI is InChI=1S/C12H25N3O/c1-3-15(4-2)12(16)6-5-8-14-9-7-11(13)10-14/h11H,3-10,13H2,1-2H3/t11-/m0/s1.
What are the key properties of 4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide?
4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide has a molecular weight of 227.35 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-aminopyrrolidin-1-yl]-N,N-diethylbutanamide is sourced from PubChem (CID 115302442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).