N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide

C12H27N3O — CID 79202231

IUPACN-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide
SMILESCCN(CC)CC(C)NC(=O)C(C)CNC
InChIInChI=1S/C12H27N3O/c1-6-15(7-2)9-11(4)14-12(16)10(3)8-13-5/h10-11,13H,6-9H2,1-5H3,(H,14,16)
InChIKeyUYIHWIHZGYSZBA-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.69
Rot. Bonds8

About N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide

N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide (PubChem CID 79202231) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide
PubChem CID79202231
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC NameN-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide
SMILESCCN(CC)CC(C)NC(=O)C(C)CNC
InChIInChI=1S/C12H27N3O/c1-6-15(7-2)9-11(4)14-12(16)10(3)8-13-5/h10-11,13H,6-9H2,1-5H3,(H,14,16)
InChIKeyUYIHWIHZGYSZBA-UHFFFAOYSA-N
XLogP0.69
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(methylamino)-N-(5-methylhexan-2-yl)propanamide
CID 79195498
(2R)-2-amino-N-[1-(diethylamino)propan-2-yl]pentanamide
CID 103814036
2-methyl-3-(methylamino)-N-propan-2-ylpropanamide
CID 79196226
2-bromo-N-[1-(diethylamino)propan-2-yl]-2-methylpropanamide
CID 114328559
4-[1-(diethylamino)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 81069065
N-[1-(diethylamino)propan-2-yl]-2-(prop-2-enylamino)acetamide
CID 79278726
N-(4-methoxy-4-methylpentan-2-yl)-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119803241
2-(tert-butylamino)-N-[1-(diethylamino)propan-2-yl]acetamide
CID 78986835
N-[(2R)-butan-2-yl]-2-methylbutanamide
CID 88542995
(2R)-4-amino-2-[1-(diethylamino)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 107827361
4-[1-(diethylamino)propan-2-ylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784879
2-amino-N-[1-(diethylamino)propan-2-yl]-3-phenylpropanamide;dihydrochloride
CID 119860539

Frequently Asked Questions

What is the IUPAC name of N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide?
The IUPAC name of N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide (CID 79202231) is N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide.
What is the SMILES notation for N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide?
The canonical SMILES for N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide is CCN(CC)CC(C)NC(=O)C(C)CNC.
What is the InChIKey of N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide?
The InChIKey is UYIHWIHZGYSZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-6-15(7-2)9-11(4)14-12(16)10(3)8-13-5/h10-11,13H,6-9H2,1-5H3,(H,14,16).
What are the key properties of N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide?
N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide has a molecular weight of 229.37 g/mol, XLogP of 0.69, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(diethylamino)propan-2-yl]-2-methyl-3-(methylamino)propanamide is sourced from PubChem (CID 79202231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).