3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide

C12H27N3O — CID 103188745

IUPAC3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide
SMILESCCN(C(=O)CC(C)(C)N)C(C)CN(C)C
InChIInChI=1S/C12H27N3O/c1-7-15(10(2)9-14(5)6)11(16)8-12(3,4)13/h10H,7-9,13H2,1-6H3
InChIKeyMODAKDTTZKHVET-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.91
Rot. Bonds6

About 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide

3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide (PubChem CID 103188745) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide
PubChem CID103188745
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide
SMILESCCN(C(=O)CC(C)(C)N)C(C)CN(C)C
InChIInChI=1S/C12H27N3O/c1-7-15(10(2)9-14(5)6)11(16)8-12(3,4)13/h10H,7-9,13H2,1-6H3
InChIKeyMODAKDTTZKHVET-UHFFFAOYSA-N
XLogP0.91
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-1-[1-(dimethylamino)propan-2-yl]-1-ethylurea
CID 103188292
5-bromo-N-[1-(dimethylamino)propan-2-yl]-N-ethylpentanamide
CID 107910746
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-propoxyacetamide
CID 103275017
(2S)-2-amino-N-[2-[1-(dimethylamino)propan-2-yl-ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 103188725
2-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethylpropanamide
CID 103187986
N-[1-(dimethylamino)propan-2-yl]-N-ethyl-2-(2-methoxyethoxy)acetamide
CID 103275016
4-[[1-(dimethylamino)propan-2-yl-ethylcarbamoyl]amino]-2,2-dimethyl-4-oxobutanoic acid
CID 103189644
3-amino-N-(2-amino-2-oxoethyl)-N-ethyl-3-methylbutanamide
CID 103102003
(2R)-2-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-4-methylpentanamide
CID 103188616
3-amino-N,3-dimethyl-N-(4-methylpentyl)butanamide
CID 115155075
2-amino-3-[1-(dimethylamino)propan-2-yl-ethylamino]-2-methylpropanoic acid
CID 103190936
2-(3-aminophenoxy)-N-[1-(dimethylamino)propan-2-yl]-N-ethylacetamide
CID 103187365

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide?
The IUPAC name of 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide (CID 103188745) is 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide.
What is the SMILES notation for 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide?
The canonical SMILES for 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide is CCN(C(=O)CC(C)(C)N)C(C)CN(C)C.
What is the InChIKey of 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide?
The InChIKey is MODAKDTTZKHVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-7-15(10(2)9-14(5)6)11(16)8-12(3,4)13/h10H,7-9,13H2,1-6H3.
What are the key properties of 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide?
3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide has a molecular weight of 229.37 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-3-methylbutanamide is sourced from PubChem (CID 103188745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).