2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide

C13H29N3O2 — CID 62476772

IUPAC2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCC(CC(C)C)N(C)C
InChIInChI=1S/C13H29N3O2/c1-10(2)8-11(16(3)4)9-15-13(17)12(14)6-7-18-5/h10-12H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyLRQWZJJJXUCXHI-UHFFFAOYSA-N
MW259.39 g/mol
LogP0.44
Rot. Bonds9

About 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide

2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide (PubChem CID 62476772) has the molecular formula C13H29N3O2 and a molecular weight of 259.39 g/mol. Its IUPAC name is 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide.

Molecular Properties

Compound Name2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide
PubChem CID62476772
Molecular FormulaC13H29N3O2
Molecular Weight259.39 g/mol
Exact Mass259.23
IUPAC Name2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide
SMILESCOCCC(N)C(=O)NCC(CC(C)C)N(C)C
InChIInChI=1S/C13H29N3O2/c1-10(2)8-11(16(3)4)9-15-13(17)12(14)6-7-18-5/h10-12H,6-9,14H2,1-5H3,(H,15,17)
InChIKeyLRQWZJJJXUCXHI-UHFFFAOYSA-N
XLogP0.44
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-4-methoxy-N-(2-methylpropyl)butanamide
CID 62474242
2-amino-4-methoxy-N-(2-methoxypropyl)butanamide
CID 102695104
2-amino-N-[2-(dimethylcarbamoylamino)ethyl]-4-methoxybutanamide
CID 83110719
2-amino-4-methoxy-N-[1-(2-methylpropylamino)-1-oxopropan-2-yl]butanamide
CID 113407134
2-[[(2-amino-4-methoxybutanoyl)amino]methyl]-3-methylbutanoic acid
CID 65224019
(2S)-2-amino-N-[2-(dimethylamino)-4-methylpentyl]-3-phenylpropanamide
CID 61274682
2-amino-4-methoxy-N-(4-methyl-2-morpholin-4-ylpentyl)butanamide
CID 62477972
5-[(2-amino-4-methoxybutanoyl)amino]-4-methylpentanoic acid
CID 82689051
2-amino-N-(2-aminoethyl)-4-methoxybutanamide
CID 62477473
2-amino-N-(2-hydroxyethyl)-4-methoxybutanamide
CID 62472987
2-amino-N-[2-(dimethylsulfamoyl)ethyl]-4-methoxybutanamide
CID 106337528
2-amino-N-(3-methoxypropyl)-4-methylpentanamide
CID 22170060

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide?
The IUPAC name of 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide (CID 62476772) is 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide.
What is the SMILES notation for 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide?
The canonical SMILES for 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide is COCCC(N)C(=O)NCC(CC(C)C)N(C)C.
What is the InChIKey of 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide?
The InChIKey is LRQWZJJJXUCXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3O2/c1-10(2)8-11(16(3)4)9-15-13(17)12(14)6-7-18-5/h10-12H,6-9,14H2,1-5H3,(H,15,17).
What are the key properties of 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide?
2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide has a molecular weight of 259.39 g/mol, XLogP of 0.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(dimethylamino)-4-methylpentyl]-4-methoxybutanamide is sourced from PubChem (CID 62476772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).