2-(3-aminopropylamino)-N-tert-butylpropanamide

C10H23N3O — CID 62274878

IUPAC2-(3-aminopropylamino)-N-tert-butylpropanamide
SMILESCC(NCCCN)C(=O)NC(C)(C)C
InChIInChI=1S/C10H23N3O/c1-8(12-7-5-6-11)9(14)13-10(2,3)4/h8,12H,5-7,11H2,1-4H3,(H,13,14)
InChIKeyDTKLCPOSVAHYTJ-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.23
Rot. Bonds5

About 2-(3-aminopropylamino)-N-tert-butylpropanamide

2-(3-aminopropylamino)-N-tert-butylpropanamide (PubChem CID 62274878) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-(3-aminopropylamino)-N-tert-butylpropanamide
PubChem CID62274878
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-(3-aminopropylamino)-N-tert-butylpropanamide
SMILESCC(NCCCN)C(=O)NC(C)(C)C
InChIInChI=1S/C10H23N3O/c1-8(12-7-5-6-11)9(14)13-10(2,3)4/h8,12H,5-7,11H2,1-4H3,(H,13,14)
InChIKeyDTKLCPOSVAHYTJ-UHFFFAOYSA-N
XLogP0.23
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[[1-(tert-butylamino)-1-oxopropan-2-yl]amino]butanoate
CID 60677364
N-tert-butyl-2-(2-methylsulfanylethylamino)propanamide
CID 60676629
2-[(6-amino-6-hydroxyimino-5,5-dimethylhexyl)amino]-N-tert-butylpropanamide
CID 106711556
N-tert-butyl-2-(3-pyrrolidin-1-ylpropylamino)propanamide
CID 60677024
2-(3-aminopropylamino)-N-pentan-3-ylpropanamide
CID 62275033
N-tert-butyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]propanamide
CID 62641224
N-tert-butyl-2-(2-cyclopentylethylamino)propanamide
CID 60734573
N-tert-butyl-2-[[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 43214867
N-tert-butyl-2-[(2,2,3,3-tetramethylcyclopropyl)methylamino]propanamide
CID 79358046
(2S)-2-(4-aminobutylamino)propanoic acid
CID 45082347
2-(3-hydroxypropylamino)-N-(2-methylbutan-2-yl)propanamide
CID 43416442
2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide
CID 43116493

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropylamino)-N-tert-butylpropanamide?
The IUPAC name of 2-(3-aminopropylamino)-N-tert-butylpropanamide (CID 62274878) is 2-(3-aminopropylamino)-N-tert-butylpropanamide.
What is the SMILES notation for 2-(3-aminopropylamino)-N-tert-butylpropanamide?
The canonical SMILES for 2-(3-aminopropylamino)-N-tert-butylpropanamide is CC(NCCCN)C(=O)NC(C)(C)C.
What is the InChIKey of 2-(3-aminopropylamino)-N-tert-butylpropanamide?
The InChIKey is DTKLCPOSVAHYTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-8(12-7-5-6-11)9(14)13-10(2,3)4/h8,12H,5-7,11H2,1-4H3,(H,13,14).
What are the key properties of 2-(3-aminopropylamino)-N-tert-butylpropanamide?
2-(3-aminopropylamino)-N-tert-butylpropanamide has a molecular weight of 201.31 g/mol, XLogP of 0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)-N-tert-butylpropanamide is sourced from PubChem (CID 62274878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).