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

C12H26N2O2 — CID 60963416

IUPAC3-amino-N-hexyl-N-(2-hydroxyethyl)butanamide
SMILESCCCCCCN(CCO)C(=O)CC(C)N
InChIInChI=1S/C12H26N2O2/c1-3-4-5-6-7-14(8-9-15)12(16)10-11(2)13/h11,15H,3-10,13H2,1-2H3
InChIKeyKITIFWRQNURUCN-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.12
Rot. Bonds9

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

3-amino-N-hexyl-N-(2-hydroxyethyl)butanamide (PubChem CID 60963416) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-amino-N-hexyl-N-(2-hydroxyethyl)butanamide.

Molecular Properties

Compound Name3-amino-N-hexyl-N-(2-hydroxyethyl)butanamide
PubChem CID60963416
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-amino-N-hexyl-N-(2-hydroxyethyl)butanamide
SMILESCCCCCCN(CCO)C(=O)CC(C)N
InChIInChI=1S/C12H26N2O2/c1-3-4-5-6-7-14(8-9-15)12(16)10-11(2)13/h11,15H,3-10,13H2,1-2H3
InChIKeyKITIFWRQNURUCN-UHFFFAOYSA-N
XLogP1.12
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.12
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

3-amino-N,N-dipropylbutanamide
CID 60836307
5-amino-N-butyl-N-(2-hydroxyethyl)hexanamide
CID 82851620
3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide
CID 60962564
3-[hexyl(2-hydroxyethyl)amino]-3-oxopropanoic acid
CID 62230259
2-ethyl-N',N'-di(tetradecyl)butanediamide
CID 156695816
5-[hexadecyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 4249271
N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide
CID 135358896
5-[dodecyl(2-hydroxyethyl)amino]-5-oxopentanoic acid
CID 3327621
2-amino-N,N-dihexylpropanamide
CID 54872127
2-hydroxy-N,N-di(tetradecyl)acetamide;dihydrate
CID 87317133
2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate
CID 57213221
N,N-di(tetradecyl)butanamide;methanol;3-methylbutan-1-ol;rhenium
CID 177144773

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hexyl-N-(2-hydroxyethyl)butanamide?
The IUPAC name of 3-amino-N-hexyl-N-(2-hydroxyethyl)butanamide (CID 60963416) is 3-amino-N-hexyl-N-(2-hydroxyethyl)butanamide.
What is the SMILES notation for 3-amino-N-hexyl-N-(2-hydroxyethyl)butanamide?
The canonical SMILES for 3-amino-N-hexyl-N-(2-hydroxyethyl)butanamide is CCCCCCN(CCO)C(=O)CC(C)N.
What is the InChIKey of 3-amino-N-hexyl-N-(2-hydroxyethyl)butanamide?
The InChIKey is KITIFWRQNURUCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-4-5-6-7-14(8-9-15)12(16)10-11(2)13/h11,15H,3-10,13H2,1-2H3.
What are the key properties of 3-amino-N-hexyl-N-(2-hydroxyethyl)butanamide?
3-amino-N-hexyl-N-(2-hydroxyethyl)butanamide has a molecular weight of 230.35 g/mol, XLogP of 1.12, 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)butanamide is sourced from PubChem (CID 60963416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).