2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide

C15H25N3O — CID 43318826

IUPAC2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide
SMILESCc1ccccc1N(CCCN)C(C)C(=O)N(C)C
InChIInChI=1S/C15H25N3O/c1-12-8-5-6-9-14(12)18(11-7-10-16)13(2)15(19)17(3)4/h5-6,8-9,13H,7,10-11,16H2,1-4H3
InChIKeyOPEJMKKAXZDQMO-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.63
Rot. Bonds6

About 2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide

2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide (PubChem CID 43318826) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide
PubChem CID43318826
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide
SMILESCc1ccccc1N(CCCN)C(C)C(=O)N(C)C
InChIInChI=1S/C15H25N3O/c1-12-8-5-6-9-14(12)18(11-7-10-16)13(2)15(19)17(3)4/h5-6,8-9,13H,7,10-11,16H2,1-4H3
InChIKeyOPEJMKKAXZDQMO-UHFFFAOYSA-N
XLogP1.63
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[N-(3-aminopropyl)-2-fluoroanilino]-N,N-diethylpropanamide
CID 43319089
N-(3-aminopropyl)-3-methyl-N-(2-methylphenyl)butanamide
CID 28766792
N-(3-aminopropyl)-N-(2-methylphenyl)benzamide
CID 28766808
(2R)-2-(N-ethyl-2-methylanilino)propanoic acid
CID 124509883
N-(3-aminopropyl)-2-methyl-N-propan-2-ylbenzamide
CID 43136684
1-(3-aminopropyl)-3-ethyl-1-(2-methylphenyl)urea
CID 43164862
3-amino-N-methyl-N-(2-methylphenyl)propanamide
CID 28794972
2-[N-(3-aminopropyl)-2-methylanilino]-N-(3-methylbutyl)acetamide
CID 61486808
N-(3-aminopropyl)-2-hydroxy-N-methyl-2-phenylacetamide
CID 115318936
2-amino-N-methyl-N-(2-methylphenyl)acetamide
CID 28794373
N-(3-aminopropyl)-N-(2-methylphenyl)cycloheptanecarboxamide
CID 62586297
3-(N-(4-amino-2-methylbutanoyl)-2-methylanilino)propanoic acid
CID 80543975

Frequently Asked Questions

What is the IUPAC name of 2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide (CID 43318826) is 2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide is Cc1ccccc1N(CCCN)C(C)C(=O)N(C)C.
What is the InChIKey of 2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide?
The InChIKey is OPEJMKKAXZDQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-12-8-5-6-9-14(12)18(11-7-10-16)13(2)15(19)17(3)4/h5-6,8-9,13H,7,10-11,16H2,1-4H3.
What are the key properties of 2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide?
2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide has a molecular weight of 263.38 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(3-aminopropyl)-2-methylanilino]-N,N-dimethylpropanamide is sourced from PubChem (CID 43318826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).