2-[(2-hydroxy-2-methylpentyl)amino]-N-pentan-3-ylpropanamide

C14H30N2O2 — CID 106292407

IUPAC2-[(2-hydroxy-2-methylpentyl)amino]-N-pentan-3-ylpropanamide
SMILESCCCC(C)(O)CNC(C)C(=O)NC(CC)CC
InChIInChI=1S/C14H30N2O2/c1-6-9-14(5,18)10-15-11(4)13(17)16-12(7-2)8-3/h11-12,15,18H,6-10H2,1-5H3,(H,16,17)
InChIKeyYEUJJRQHWNKASX-UHFFFAOYSA-N
MW258.41 g/mol
LogP1.82
Rot. Bonds9

About 2-[(2-hydroxy-2-methylpentyl)amino]-N-pentan-3-ylpropanamide

2-[(2-hydroxy-2-methylpentyl)amino]-N-pentan-3-ylpropanamide (PubChem CID 106292407) has the molecular formula C14H30N2O2 and a molecular weight of 258.41 g/mol. Its IUPAC name is 2-[(2-hydroxy-2-methylpentyl)amino]-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[(2-hydroxy-2-methylpentyl)amino]-N-pentan-3-ylpropanamide
PubChem CID106292407
Molecular FormulaC14H30N2O2
Molecular Weight258.41 g/mol
Exact Mass258.23
IUPAC Name2-[(2-hydroxy-2-methylpentyl)amino]-N-pentan-3-ylpropanamide
SMILESCCCC(C)(O)CNC(C)C(=O)NC(CC)CC
InChIInChI=1S/C14H30N2O2/c1-6-9-14(5,18)10-15-11(4)13(17)16-12(7-2)8-3/h11-12,15,18H,6-10H2,1-5H3,(H,16,17)
InChIKeyYEUJJRQHWNKASX-UHFFFAOYSA-N
XLogP1.82
TPSA61.36 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 ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-2-[(2-hydroxy-2-methylpentyl)amino]propanamide
CID 106293038
2-[(2-methoxy-2-methylpropyl)amino]-N-pentan-3-ylpropanamide
CID 115664073
3-[(2-hydroxy-2-methylpentyl)amino]-2-methyl-3-oxopropanoic acid
CID 106295623
2-[(2-hydroxy-2-methylbutyl)amino]-N-pentylpropanamide
CID 65111805
methyl 2-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]acetate
CID 43116573
2-(2-acetamidoethylamino)-N-pentan-3-ylpropanamide
CID 43420238
2-(3-aminopropylamino)-N-pentan-3-ylpropanamide
CID 62275033
2-[2-(dimethylamino)ethylamino]-N-pentan-3-ylpropanamide
CID 43112397
2-(2-cyclobutylethylamino)-N-pentan-3-ylpropanamide
CID 115688578
2-(2-ethoxyethylamino)-N-pentan-3-ylpropanamide
CID 43591061
N-(2-hydroxy-2-methylpentyl)-2-methyl-3-(methylamino)propanamide
CID 106292285
methyl 3-[[1-oxo-1-(pentan-3-ylamino)propan-2-yl]amino]propanoate
CID 60719528

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-2-methylpentyl)amino]-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[(2-hydroxy-2-methylpentyl)amino]-N-pentan-3-ylpropanamide (CID 106292407) is 2-[(2-hydroxy-2-methylpentyl)amino]-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[(2-hydroxy-2-methylpentyl)amino]-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[(2-hydroxy-2-methylpentyl)amino]-N-pentan-3-ylpropanamide is CCCC(C)(O)CNC(C)C(=O)NC(CC)CC.
What is the InChIKey of 2-[(2-hydroxy-2-methylpentyl)amino]-N-pentan-3-ylpropanamide?
The InChIKey is YEUJJRQHWNKASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O2/c1-6-9-14(5,18)10-15-11(4)13(17)16-12(7-2)8-3/h11-12,15,18H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 2-[(2-hydroxy-2-methylpentyl)amino]-N-pentan-3-ylpropanamide?
2-[(2-hydroxy-2-methylpentyl)amino]-N-pentan-3-ylpropanamide has a molecular weight of 258.41 g/mol, XLogP of 1.82, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-2-methylpentyl)amino]-N-pentan-3-ylpropanamide is sourced from PubChem (CID 106292407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).