3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide

C11H25N3O — CID 107441879

IUPAC3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide
SMILESCC(C)C(CN)CNCCC(=O)N(C)C
InChIInChI=1S/C11H25N3O/c1-9(2)10(7-12)8-13-6-5-11(15)14(3)4/h9-10,13H,5-8,12H2,1-4H3
InChIKeyNQFRYVYEHPXVFI-UHFFFAOYSA-N
MW215.34 g/mol
LogP0.29
Rot. Bonds7

About 3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide

3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide (PubChem CID 107441879) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide
PubChem CID107441879
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide
SMILESCC(C)C(CN)CNCCC(=O)N(C)C
InChIInChI=1S/C11H25N3O/c1-9(2)10(7-12)8-13-6-5-11(15)14(3)4/h9-10,13H,5-8,12H2,1-4H3
InChIKeyNQFRYVYEHPXVFI-UHFFFAOYSA-N
XLogP0.29
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 50.29
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

3-[[2-(aminomethyl)-3-methylbutyl]amino]propanamide
CID 107441377
3-(2-aminoethylamino)-N,N-dimethylpropanamide
CID 62141656
tert-butyl N-[2-[[2-(aminomethyl)-3-methylbutyl]amino]ethyl]-N-methylcarbamate
CID 107442949
N,N-dimethyl-3-(2-methylpentylamino)propanamide
CID 60926846
2-[[2-(aminomethyl)-3-methylbutyl]-methylamino]-N,N-dimethylacetamide
CID 107443358
3-(ethylamino)-N,N-dimethylpropanamide
CID 60926487
3-[[3-(dimethylamino)-3-oxopropyl]amino]-N-propan-2-ylpropanamide
CID 62625373
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-methylacetamide
CID 107441337
2-[[3-(dimethylamino)-3-oxopropyl]amino]-3-methylbutanamide
CID 103914269
2-propan-2-yl-N'-(2-pyrrolidin-1-ylethyl)propane-1,3-diamine
CID 107441168
2-[[2-(aminomethyl)-3-methylbutyl]amino]-N-tert-butylacetamide
CID 107442563
N-(3-amino-2-methylpropyl)-N',N'-dimethylpentanediamide
CID 119997509

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide (CID 107441879) is 3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide is CC(C)C(CN)CNCCC(=O)N(C)C.
What is the InChIKey of 3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide?
The InChIKey is NQFRYVYEHPXVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-9(2)10(7-12)8-13-6-5-11(15)14(3)4/h9-10,13H,5-8,12H2,1-4H3.
What are the key properties of 3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide?
3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide has a molecular weight of 215.34 g/mol, XLogP of 0.29, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(aminomethyl)-3-methylbutyl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 107441879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).