2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide

C11H24N2O2 — CID 107842589

IUPAC2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide
SMILESCCC(CN)C(=O)NCCCCCCO
InChIInChI=1S/C11H24N2O2/c1-2-10(9-12)11(15)13-7-5-3-4-6-8-14/h10,14H,2-9,12H2,1H3,(H,13,15)
InChIKeyQEOUFGJORGOUKU-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.64
Rot. Bonds9

About 2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide

2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide (PubChem CID 107842589) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide
PubChem CID107842589
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide
SMILESCCC(CN)C(=O)NCCCCCCO
InChIInChI=1S/C11H24N2O2/c1-2-10(9-12)11(15)13-7-5-3-4-6-8-14/h10,14H,2-9,12H2,1H3,(H,13,15)
InChIKeyQEOUFGJORGOUKU-UHFFFAOYSA-N
XLogP0.64
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(aminomethyl)-N-(3-aminopropyl)butanamide
CID 65229428
2-(aminomethyl)-N-(7-methyloctyl)butanamide
CID 65229476
ethyl 4-[2-(aminomethyl)butanoylamino]butanoate
CID 65228483
5-[2-(aminomethyl)butanoylamino]-2-methylpentanoic acid
CID 104685698
2-ethyl-N-undecylpentanamide
CID 160695439
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
(2S)-2-amino-N-(5-hydroxypentyl)pentanamide
CID 107571012
(2S)-2-amino-N-(4-hydroxybutyl)-3-methylpentanamide
CID 87554780
methyl 3-[2-(aminomethyl)butanoylamino]propanoate
CID 65228741
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
2-(aminomethyl)-N-(2-methylbutyl)butanamide
CID 62691581
2-ethyl-N-(6-oxoheptyl)butanamide
CID 130267698

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide?
The IUPAC name of 2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide (CID 107842589) is 2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide is CCC(CN)C(=O)NCCCCCCO.
What is the InChIKey of 2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide?
The InChIKey is QEOUFGJORGOUKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-2-10(9-12)11(15)13-7-5-3-4-6-8-14/h10,14H,2-9,12H2,1H3,(H,13,15).
What are the key properties of 2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide?
2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide has a molecular weight of 216.32 g/mol, XLogP of 0.64, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(6-hydroxyhexyl)butanamide is sourced from PubChem (CID 107842589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).