3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide

C13H28N2O2 — CID 113307587

IUPAC3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide
SMILESCCCCCCN(CCO)C(=O)C(C)(C)CN
InChIInChI=1S/C13H28N2O2/c1-4-5-6-7-8-15(9-10-16)12(17)13(2,3)11-14/h16H,4-11,14H2,1-3H3
InChIKeyHVOYOUIPWGEIGE-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.37
Rot. Bonds9

About 3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide

3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide (PubChem CID 113307587) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide.

Molecular Properties

Compound Name3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide
PubChem CID113307587
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide
SMILESCCCCCCN(CCO)C(=O)C(C)(C)CN
InChIInChI=1S/C13H28N2O2/c1-4-5-6-7-8-15(9-10-16)12(17)13(2,3)11-14/h16H,4-11,14H2,1-3H3
InChIKeyHVOYOUIPWGEIGE-UHFFFAOYSA-N
XLogP1.37
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.37
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-(2-hydroxyethyl)-2,2-dimethyl-N-pentylpropanamide
CID 59440869
2-amino-N,N-dihexyl-2-methylpropanamide
CID 61265821
2,2-dimethyl-N,N-di(nonyl)propanamide
CID 532840
3-amino-N-hexyl-N-(2-hydroxyethyl)propanamide
CID 60962564
2-[bis(2-hydroxyethyl)carbamoyl]-2-methylhexadecanoic acid
CID 101279151
2-hydroxyethyl N-hexyl-N-(2-hydroxyethyl)carbamate
CID 57213221
1-hexadecyl-1-(2-hydroxyethyl)-3-methylurea
CID 88673985
(Z)-4-[decyl(2-hydroxyethyl)amino]-4-oxobut-2-enoic acid
CID 18527110
N-(3-aminopropyl)-N-(2-hydroxyethyl)octanamide
CID 135358896
2,2,2-trifluoroethyl N-hexyl-N-(2-hydroxyethyl)carbamate
CID 61068983
potassium 2-[bis(2-hydroxyethyl)carbamoyl]-2-methyltetradecanoate
CID 101279146
3-[hexyl(2-hydroxyethyl)amino]-3-oxopropanoic acid
CID 62230259

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide?
The IUPAC name of 3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide (CID 113307587) is 3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide.
What is the SMILES notation for 3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide?
The canonical SMILES for 3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide is CCCCCCN(CCO)C(=O)C(C)(C)CN.
What is the InChIKey of 3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide?
The InChIKey is HVOYOUIPWGEIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-4-5-6-7-8-15(9-10-16)12(17)13(2,3)11-14/h16H,4-11,14H2,1-3H3.
What are the key properties of 3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide?
3-amino-N-hexyl-N-(2-hydroxyethyl)-2,2-dimethylpropanamide has a molecular weight of 244.38 g/mol, XLogP of 1.37, 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)-2,2-dimethylpropanamide is sourced from PubChem (CID 113307587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).