2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide

C14H30N2O2 — CID 106148301

IUPAC2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
SMILESCCC(CC)(CN)C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C14H30N2O2/c1-5-14(6-2,10-15)12(18)16-11-13(3,4)8-7-9-17/h17H,5-11,15H2,1-4H3,(H,16,18)
InChIKeyFUFCCOYJGWLGFL-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.67
Rot. Bonds9

About 2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide

2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide (PubChem CID 106148301) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide.

Molecular Properties

Compound Name2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
PubChem CID106148301
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
SMILESCCC(CC)(CN)C(=O)NCC(C)(C)CCCO
InChIInChI=1S/C14H30N2O2/c1-5-14(6-2,10-15)12(18)16-11-13(3,4)8-7-9-17/h17H,5-11,15H2,1-4H3,(H,16,18)
InChIKeyFUFCCOYJGWLGFL-UHFFFAOYSA-N
XLogP1.67
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylbutanamide
CID 106140383
2-amino-N-(5-hydroxy-2,2-dimethylpentyl)acetamide
CID 106148100
2-(aminomethyl)-2-ethyl-N-(2-hydroxy-2-methylpentyl)butanamide
CID 114169342
4-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148312
N-(5-amino-2,2-dimethylpentyl)-2,2-dimethylpropanamide
CID 106140502
2-amino-2-ethyl-N-(4-hydroxy-2,2-dimethylbutyl)butanamide
CID 106147988
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3-methylbutanamide
CID 106148146
3-bromo-N-(5-hydroxy-2,2-dimethylpentyl)propanamide
CID 106146044
N-[2-[(5-hydroxy-2,2-dimethylpentyl)amino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 103899932
(2S)-2-amino-N-(5-hydroxy-2,2-dimethylpentyl)-3,3-dimethylbutanamide
CID 114150116
3-amino-N-(5-hydroxy-2,2-dimethylpentyl)butanamide
CID 106148250
N-(5-amino-2,2-dimethylpentyl)-2-methoxy-2-methylpropanamide
CID 106140447

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide?
The IUPAC name of 2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide (CID 106148301) is 2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide.
What is the SMILES notation for 2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide?
The canonical SMILES for 2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide is CCC(CC)(CN)C(=O)NCC(C)(C)CCCO.
What is the InChIKey of 2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide?
The InChIKey is FUFCCOYJGWLGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-5-14(6-2,10-15)12(18)16-11-13(3,4)8-7-9-17/h17H,5-11,15H2,1-4H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide?
2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide has a molecular weight of 258.41 g/mol, XLogP of 1.67, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-2-ethyl-N-(5-hydroxy-2,2-dimethylpentyl)butanamide is sourced from PubChem (CID 106148301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).