N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide

C11H25N3O — CID 62836694

IUPACN-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCCCCN(C)C
InChIInChI=1S/C11H25N3O/c1-4-12-9-7-11(15)13-8-5-6-10-14(2)3/h12H,4-10H2,1-3H3,(H,13,15)
InChIKeyHVRWUWONNRLKMP-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.44
Rot. Bonds9

About N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide

N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide (PubChem CID 62836694) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide
PubChem CID62836694
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC NameN-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide
SMILESCCNCCC(=O)NCCCCN(C)C
InChIInChI=1S/C11H25N3O/c1-4-12-9-7-11(15)13-8-5-6-10-14(2)3/h12H,4-10H2,1-3H3,(H,13,15)
InChIKeyHVRWUWONNRLKMP-UHFFFAOYSA-N
XLogP0.44
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.44
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

N-[4-(dimethylamino)butyl]docosanamide
CID 87265167
6-(dimethylamino)-N-dodecylhexanamide;hydroiodide
CID 158720185
4-(dimethylamino)-N-octadecylbutanamide
CID 126689670
4-[3-(ethylamino)propanoylamino]butanoic acid
CID 62835343
5-bromo-N-[4-(dimethylamino)butyl]pentanamide
CID 107909932
18-(dimethylamino)-N-propyloctadecanamide
CID 87286031
N-[2-(dimethylcarbamoylamino)ethyl]-3-(ethylamino)propanamide
CID 83111812
N-[3-(dimethylamino)propyl]nonanamide
CID 3395805
4-(dimethylamino)-N-(5-sulfanylpentyl)butanamide
CID 23187588
4-(dimethylamino)-N-(3-sulfanylpropyl)butanamide
CID 23187599
N-(3-ethoxypropyl)-3-(ethylamino)propanamide
CID 62832106
N-[3-(dimethylamino)propyl]octadecanamide;hydrochloride
CID 3019212

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide (CID 62836694) is N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide is CCNCCC(=O)NCCCCN(C)C.
What is the InChIKey of N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide?
The InChIKey is HVRWUWONNRLKMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-4-12-9-7-11(15)13-8-5-6-10-14(2)3/h12H,4-10H2,1-3H3,(H,13,15).
What are the key properties of N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide?
N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide has a molecular weight of 215.34 g/mol, XLogP of 0.44, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-3-(ethylamino)propanamide is sourced from PubChem (CID 62836694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).