2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide

C9H21N3O2 — CID 175579289

IUPAC2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide
SMILESCCCC(N)N(C)C(=O)C(N)CCO
InChIInChI=1S/C9H21N3O2/c1-3-4-8(11)12(2)9(14)7(10)5-6-13/h7-8,13H,3-6,10-11H2,1-2H3
InChIKeyRONFLMLPVWKKJL-UHFFFAOYSA-N
MW203.29 g/mol
LogP-0.76
Rot. Bonds6

About 2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide

2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide (PubChem CID 175579289) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide
PubChem CID175579289
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide
SMILESCCCC(N)N(C)C(=O)C(N)CCO
InChIInChI=1S/C9H21N3O2/c1-3-4-8(11)12(2)9(14)7(10)5-6-13/h7-8,13H,3-6,10-11H2,1-2H3
InChIKeyRONFLMLPVWKKJL-UHFFFAOYSA-N
XLogP-0.76
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-2,6-diamino-N-(1-aminobutyl)-N-methylhexanamide
CID 175579249
(2S)-2-amino-N-(1-aminobutyl)-5-(diaminomethylideneamino)-N-methylpentanamide
CID 175579254
(2R)-2-amino-4-hydroxy-N,N-dimethylbutanamide
CID 89160145
(2R)-2-amino-N-hydroxy-N-methylpentanamide
CID 131057070
2-amino-N-(1-hydroxypropan-2-yl)-N-methylhexanamide
CID 104551721
(2R)-2-amino-N-ethyl-N-methylpentanamide
CID 93255557
(2R)-2-amino-N-methyl-N-(4-methylsulfanylbutan-2-yl)pentanamide
CID 103797446
(2S)-2-amino-N-(1-cyclopropylethyl)-N-methylpentanamide
CID 107568254
2-amino-N-methyl-N-(3-methylbutyl)pentanamide
CID 60963800
(2S)-2-amino-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)pentanamide
CID 107571038
(2R)-2-amino-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylpentanamide
CID 107570627
(2S)-2-amino-N-[3-(dimethylamino)propyl]-N-methylpentanamide
CID 107569740

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide?
The IUPAC name of 2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide (CID 175579289) is 2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide.
What is the SMILES notation for 2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide?
The canonical SMILES for 2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide is CCCC(N)N(C)C(=O)C(N)CCO.
What is the InChIKey of 2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide?
The InChIKey is RONFLMLPVWKKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3O2/c1-3-4-8(11)12(2)9(14)7(10)5-6-13/h7-8,13H,3-6,10-11H2,1-2H3.
What are the key properties of 2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide?
2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide has a molecular weight of 203.29 g/mol, XLogP of -0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-aminobutyl)-4-hydroxy-N-methylbutanamide is sourced from PubChem (CID 175579289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).