N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide

C12H27N3O — CID 62641738

IUPACN-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide
SMILESCCCCNC(=O)C(C)NCCN(C)CC
InChIInChI=1S/C12H27N3O/c1-5-7-8-14-12(16)11(3)13-9-10-15(4)6-2/h11,13H,5-10H2,1-4H3,(H,14,16)
InChIKeyCWKJQLTVPVEYLI-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.83
Rot. Bonds9

About N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide

N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide (PubChem CID 62641738) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide.

Molecular Properties

Compound NameN-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide
PubChem CID62641738
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide
SMILESCCCCNC(=O)C(C)NCCN(C)CC
InChIInChI=1S/C12H27N3O/c1-5-7-8-14-12(16)11(3)13-9-10-15(4)6-2/h11,13H,5-10H2,1-4H3,(H,14,16)
InChIKeyCWKJQLTVPVEYLI-UHFFFAOYSA-N
XLogP0.83
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.83
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-butyl-2-[3-[ethyl(methylsulfonyl)amino]propylamino]propanamide
CID 61013916
N-butyl-2-[[2-(dimethylamino)-2-oxoethyl]amino]propanamide
CID 43243844
2-[2-[cyclopropyl(methyl)amino]ethylamino]-N-pentylpropanamide
CID 55140066
2-[2-[ethyl(methyl)amino]ethylamino]-N-(furan-2-ylmethyl)propanamide
CID 62641023
2-(butylamino)-N-(3-methylbutyl)propanamide
CID 43112967
N-[2-[ethyl(methyl)amino]ethyl]-2-methylbutanamide
CID 20730110
N-butyl-2-[[2-(ethylamino)-2-oxoethyl]amino]propanamide
CID 43420298
N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide
CID 87733157
N-butyl-2-(3-cyclopropylpropylamino)propanamide
CID 115638941
2-(butylamino)-N-ethyl-N-methylpropanamide
CID 103107906
N-butyl-2-(2-methoxypropylamino)propanamide
CID 102698101
2-[(3-amino-3-oxopropyl)amino]-N-pentylpropanamide
CID 43553504

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide?
The IUPAC name of N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide (CID 62641738) is N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide.
What is the SMILES notation for N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide?
The canonical SMILES for N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide is CCCCNC(=O)C(C)NCCN(C)CC.
What is the InChIKey of N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide?
The InChIKey is CWKJQLTVPVEYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-7-8-14-12(16)11(3)13-9-10-15(4)6-2/h11,13H,5-10H2,1-4H3,(H,14,16).
What are the key properties of N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide?
N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide has a molecular weight of 229.37 g/mol, XLogP of 0.83, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-[ethyl(methyl)amino]ethylamino]propanamide is sourced from PubChem (CID 62641738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).