2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide

C12H22N2O2 — CID 106160085

IUPAC2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCCCC(C)CO
InChIInChI=1S/C12H22N2O2/c1-4-7-14-12(16)11(3)13-8-5-6-10(2)9-15/h1,10-11,13,15H,5-9H2,2-3H3,(H,14,16)
InChIKeyHKPPYCWUOBYOMH-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.12
Rot. Bonds8

About 2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide

2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide (PubChem CID 106160085) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide
PubChem CID106160085
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(C)NCCCC(C)CO
InChIInChI=1S/C12H22N2O2/c1-4-7-14-12(16)11(3)13-8-5-6-10(2)9-15/h1,10-11,13,15H,5-9H2,2-3H3,(H,14,16)
InChIKeyHKPPYCWUOBYOMH-UHFFFAOYSA-N
XLogP0.12
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-aminoethylamino)-N-prop-2-ynylpropanamide
CID 62140900
3-[[1-oxo-1-(prop-2-ynylamino)propan-2-yl]amino]propanoic acid
CID 43466719
2-[(4-hydroxy-2-methylbutyl)amino]-N-prop-2-ynylpropanamide
CID 66107036
2-[2-(2-hydroxyethoxy)ethylamino]-N-prop-2-ynylpropanamide
CID 60720256
2-[2-(diethylamino)ethylamino]-N-prop-2-ynylpropanamide
CID 43112763
N-(5-hydroxy-4-methylpentyl)pent-4-ynamide
CID 106155721
N-cyclohexyl-2-[(5-hydroxy-4-methylpentyl)amino]propanamide
CID 106160233
2-[(5-hydroxy-4-methylpentyl)amino]butanoic acid
CID 106158405
2-[2-[ethyl(propyl)amino]ethylamino]-N-prop-2-ynylpropanamide
CID 114133454
(2R)-2-amino-N-(5-hydroxy-4-methylpentyl)propanamide
CID 106161371
2-[(1-hydroxy-3-methylbutan-2-yl)amino]-N-prop-2-ynylpropanamide
CID 79249900
2-(2-methylprop-2-enylamino)-N-prop-2-ynylpropanamide
CID 114616816

Frequently Asked Questions

What is the IUPAC name of 2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide?
The IUPAC name of 2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide (CID 106160085) is 2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide?
The canonical SMILES for 2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide is C#CCNC(=O)C(C)NCCCC(C)CO.
What is the InChIKey of 2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide?
The InChIKey is HKPPYCWUOBYOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-4-7-14-12(16)11(3)13-8-5-6-10(2)9-15/h1,10-11,13,15H,5-9H2,2-3H3,(H,14,16).
What are the key properties of 2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide?
2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide has a molecular weight of 226.32 g/mol, XLogP of 0.12, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-hydroxy-4-methylpentyl)amino]-N-prop-2-ynylpropanamide is sourced from PubChem (CID 106160085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).