(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide

C11H25N3O — CID 79025244

IUPAC(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide
SMILESCC[C@H](N)C(=O)NCCCN(CC)CC
InChIInChI=1S/C11H25N3O/c1-4-10(12)11(15)13-8-7-9-14(5-2)6-3/h10H,4-9,12H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyVBFADEJBCFDYDO-JTQLQIEISA-N
MW215.34 g/mol
LogP0.57
Rot. Bonds8

About (2S)-2-amino-N-[3-(diethylamino)propyl]butanamide

(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide (PubChem CID 79025244) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is (2S)-2-amino-N-[3-(diethylamino)propyl]butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide
PubChem CID79025244
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide
SMILESCC[C@H](N)C(=O)NCCCN(CC)CC
InChIInChI=1S/C11H25N3O/c1-4-10(12)11(15)13-8-7-9-14(5-2)6-3/h10H,4-9,12H2,1-3H3,(H,13,15)/t10-/m0/s1
InChIKeyVBFADEJBCFDYDO-JTQLQIEISA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[3-[methyl(propan-2-yl)amino]propyl]butanamide
CID 106047623
N-[3-(diethylamino)propyl]-2,2-difluoroacetamide
CID 103600714
2-amino-N-[3-(diethylamino)propyl]-3-phenylpropanamide
CID 24696027
2-amino-N-[2-[ethyl(methyl)amino]ethyl]butanamide
CID 62641335
2-(aminomethyl)-N-[3-(diethylamino)propyl]-4,4-dimethylpentanamide
CID 107471013
(2R)-2-amino-N-tetradecylbutanamide
CID 158842614
N-[3-[3-[3-aminopropyl(ethyl)amino]propyl-ethylamino]propyl]-2-methylbutanamide;ethane
CID 142817480
2-amino-N-(3-cyanopropyl)butanamide
CID 62666454
3-(aminomethyl)-N-[3-(diethylamino)propyl]pentanamide
CID 81070117
ethyl 2-[3-(diethylamino)propylamino]-2-oxoacetate
CID 3412732
(2R)-2-amino-N-[2-(dimethylcarbamoylamino)ethyl]butanamide
CID 83110467
2-amino-N-hex-5-ynylbutanamide
CID 103950447

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-[3-(diethylamino)propyl]butanamide?
The IUPAC name of (2S)-2-amino-N-[3-(diethylamino)propyl]butanamide (CID 79025244) is (2S)-2-amino-N-[3-(diethylamino)propyl]butanamide.
What is the SMILES notation for (2S)-2-amino-N-[3-(diethylamino)propyl]butanamide?
The canonical SMILES for (2S)-2-amino-N-[3-(diethylamino)propyl]butanamide is CC[C@H](N)C(=O)NCCCN(CC)CC.
What is the InChIKey of (2S)-2-amino-N-[3-(diethylamino)propyl]butanamide?
The InChIKey is VBFADEJBCFDYDO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-10(12)11(15)13-8-7-9-14(5-2)6-3/h10H,4-9,12H2,1-3H3,(H,13,15)/t10-/m0/s1.
What are the key properties of (2S)-2-amino-N-[3-(diethylamino)propyl]butanamide?
(2S)-2-amino-N-[3-(diethylamino)propyl]butanamide has a molecular weight of 215.34 g/mol, XLogP of 0.57, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-[3-(diethylamino)propyl]butanamide is sourced from PubChem (CID 79025244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).