2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide

C11H25N3O — CID 43116493

IUPAC2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)N(C)CCCN
InChIInChI=1S/C11H25N3O/c1-9(14(5)8-6-7-12)10(15)13-11(2,3)4/h9H,6-8,12H2,1-5H3,(H,13,15)
InChIKeyZCKALXGUDWOHTH-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.57
Rot. Bonds5

About 2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide

2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide (PubChem CID 43116493) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide
PubChem CID43116493
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide
SMILESCC(C(=O)NC(C)(C)C)N(C)CCCN
InChIInChI=1S/C11H25N3O/c1-9(14(5)8-6-7-12)10(15)13-11(2,3)4/h9H,6-8,12H2,1-5H3,(H,13,15)
InChIKeyZCKALXGUDWOHTH-UHFFFAOYSA-N
XLogP0.57
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

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Related Compounds

(2S)-2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]propanamide
CID 10989432
2-amino-N-[3-[4-(3-aminopropylamino)butylamino]propyl]-2-methylpropanamide
CID 9838871
N-(tert-butyl)-2-piperazin-1-ylacetamide
CID 2468184
Butyramide, 2-(diethylamino)-N-tert-pentyl-, hydrochloride
CID 60271
2-(1,4-diazepan-1-yl)-N-(propan-2-yl)acetamide
CID 13270103
2-amino-N-(2-methylpropyl)propanamide
CID 13750005
Acetamide, 2-(diethylamino)-N-(1-ethyl-1-methylpropyl)-, hydrochloride
CID 60235
Acetamide, 2-(diethylamino)-N-tert-pentyl-, hydrochloride
CID 60313
Acetamide, N-tert-butyl-2-(diethylamino)-, hydrochloride
CID 60441
2-Methyl-2-(piperazin-1-yl)propanamide
CID 21748841
6,6-Dimethyl-1-(propan-2-yl)piperazin-2-one
CID 54594482
2-amino-N-(2,2-dimethylpropyl)-2-methylpropanamide
CID 61265060

Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide?
The IUPAC name of 2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide (CID 43116493) is 2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide.
What is the SMILES notation for 2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide?
The canonical SMILES for 2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide is CC(C(=O)NC(C)(C)C)N(C)CCCN.
What is the InChIKey of 2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide?
The InChIKey is ZCKALXGUDWOHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-9(14(5)8-6-7-12)10(15)13-11(2,3)4/h9H,6-8,12H2,1-5H3,(H,13,15).
What are the key properties of 2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide?
2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide has a molecular weight of 215.34 g/mol, XLogP of 0.57, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(methyl)amino]-N-tert-butylpropanamide is sourced from PubChem (CID 43116493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).