3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide

C11H24N2O2 — CID 60962564

IUPAC3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide
SMILESCCCCCCN(CCO)C(=O)CCN
InChIInChI=1S/C11H24N2O2/c1-2-3-4-5-8-13(9-10-14)11(15)6-7-12/h14H,2-10,12H2,1H3
InChIKeyLTLVIMVJCXKGCW-UHFFFAOYSA-N
MW216.32 g/mol
LogP0.74
Rot. Bonds9

About 3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide

3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide (PubChem CID 60962564) has the molecular formula C11H24N2O2 and a molecular weight of 216.32 g/mol. Its IUPAC name is 3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide.

Molecular Properties

Compound Name3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide
PubChem CID60962564
Molecular FormulaC11H24N2O2
Molecular Weight216.32 g/mol
Exact Mass216.18
IUPAC Name3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide
SMILESCCCCCCN(CCO)C(=O)CCN
InChIInChI=1S/C11H24N2O2/c1-2-3-4-5-8-13(9-10-14)11(15)6-7-12/h14H,2-10,12H2,1H3
InChIKeyLTLVIMVJCXKGCW-UHFFFAOYSA-N
XLogP0.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide
CID 135358896
4-amino-N-heptyl-N-(3-hydroxypropyl)butanamide
CID 54874426
4-amino-N,N-di(tetradecyl)butanamide
CID 169149946
5-[hexadecyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 4249271
5-[dodecyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 3327621
N,N-di(undecyl)pentanamide
CID 532896
N,N-di(undecyl)butanamide
CID 533369
N,N-di(nonyl)butanamide
CID 533367
N,N-di(nonyl)octanamide
CID 533141
N,N,N',N'-tetraoctylhexanediamide
CID 18938545
N,N-dioctyltetradecanamide
CID 169083302
N,N-bis(3-aminopropyl)octanamide;dihydrochloride
CID 134306237

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide?
The IUPAC name of 3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide (CID 60962564) is 3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide.
What is the SMILES notation for 3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide?
The canonical SMILES for 3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide is CCCCCCN(CCO)C(=O)CCN.
What is the InChIKey of 3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide?
The InChIKey is LTLVIMVJCXKGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O2/c1-2-3-4-5-8-13(9-10-14)11(15)6-7-12/h14H,2-10,12H2,1H3.
What are the key properties of 3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide?
3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide has a molecular weight of 216.32 g/mol, XLogP of 0.74, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide is sourced from PubChem (CID 60962564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).