2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propylpropanamide

C16H27N3O — CID 43276166

IUPAC2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(c1ccc(CN)cc1)C(C)C
InChIInChI=1S/C16H27N3O/c1-5-10-18-16(20)13(4)19(12(2)3)15-8-6-14(11-17)7-9-15/h6-9,12-13H,5,10-11,17H2,1-4H3,(H,18,20)
InChIKeyKBLVIACVODLEKY-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.27
Rot. Bonds7

About 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propylpropanamide

2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propylpropanamide (PubChem CID 43276166) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propylpropanamide
PubChem CID43276166
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propylpropanamide
SMILESCCCNC(=O)C(C)N(c1ccc(CN)cc1)C(C)C
InChIInChI=1S/C16H27N3O/c1-5-10-18-16(20)13(4)19(12(2)3)15-8-6-14(11-17)7-9-15/h6-9,12-13H,5,10-11,17H2,1-4H3,(H,18,20)
InChIKeyKBLVIACVODLEKY-UHFFFAOYSA-N
XLogP2.27
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(aminomethyl)-N-propylanilino]-N-ethylpropanamide
CID 43275941
2-[4-(aminomethyl)phenoxy]-N-propylpropanamide
CID 43115802
2-[(4-aminophenyl)methyl-methylamino]-N-propylpropanamide
CID 43383798
N-[4-(aminomethyl)phenyl]-N-propan-2-ylacetamide
CID 43275962
2-[4-(aminomethyl)phenyl]-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 63588886
1-[4-(aminomethyl)phenyl]-1,3-di(propan-2-yl)urea
CID 43276091
2-[acetyl-[(4-chlorophenyl)methyl]amino]-N-propylpropanamide
CID 133149261
N-[4-(aminomethyl)phenyl]-N,2-dimethylpropanamide
CID 28755580
1-[5-(aminomethyl)-2-methylphenyl]-3-propylurea
CID 62104342
N-[4-(aminomethyl)phenyl]-2,2-dimethyl-N-propan-2-ylpropanamide
CID 43275967
N-[[4-(aminomethyl)phenyl]methyl]-2-propylpentanamide
CID 82984622
2-[(4-aminophenyl)methyl-propan-2-ylamino]-N-ethylpropanamide
CID 43460140

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propylpropanamide (CID 43276166) is 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propylpropanamide is CCCNC(=O)C(C)N(c1ccc(CN)cc1)C(C)C.
What is the InChIKey of 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propylpropanamide?
The InChIKey is KBLVIACVODLEKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-5-10-18-16(20)13(4)19(12(2)3)15-8-6-14(11-17)7-9-15/h6-9,12-13H,5,10-11,17H2,1-4H3,(H,18,20).
What are the key properties of 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propylpropanamide?
2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propylpropanamide has a molecular weight of 277.41 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-N-propan-2-ylanilino]-N-propylpropanamide is sourced from PubChem (CID 43276166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).