2-amino-N-(6-hydroxyhexyl)pent-4-enamide

C11H22N2O2 — CID 107842505

IUPAC2-amino-N-(6-hydroxyhexyl)pent-4-enamide
SMILESC=CCC(N)C(=O)NCCCCCCO
InChIInChI=1S/C11H22N2O2/c1-2-7-10(12)11(15)13-8-5-3-4-6-9-14/h2,10,14H,1,3-9,12H2,(H,13,15)
InChIKeyMRWKECKGHARCKU-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.56
Rot. Bonds9

About 2-amino-N-(6-hydroxyhexyl)pent-4-enamide

2-amino-N-(6-hydroxyhexyl)pent-4-enamide (PubChem CID 107842505) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-amino-N-(6-hydroxyhexyl)pent-4-enamide.

Molecular Properties

Compound Name2-amino-N-(6-hydroxyhexyl)pent-4-enamide
PubChem CID107842505
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name2-amino-N-(6-hydroxyhexyl)pent-4-enamide
SMILESC=CCC(N)C(=O)NCCCCCCO
InChIInChI=1S/C11H22N2O2/c1-2-7-10(12)11(15)13-8-5-3-4-6-9-14/h2,10,14H,1,3-9,12H2,(H,13,15)
InChIKeyMRWKECKGHARCKU-UHFFFAOYSA-N
XLogP0.56
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-amino-N-(6-hydroxyhexyl)pent-4-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-2-amino-N-(5-hydroxypentyl)pentanamide
CID 107571012
2-amino-N-(3,3-dimethylbutyl)pent-4-enamide
CID 112704204
4-amino-5-(6-hydroxyhexylamino)-5-oxopentanoic acid
CID 107842457
3-amino-N-(6-hydroxyhexyl)-2-methylbutanamide
CID 107842431
2-amino-N-[(2S)-2-hydroxypropyl]pent-4-enamide
CID 107221169
(2R)-2-amino-N-(4-hydroxybutyl)propanamide
CID 106842086
N-(9-hydroxynonyl)but-3-enamide
CID 171841682
N-(5-hydroxypentyl)but-3-enamide
CID 107318491
2-amino-N-(2,2-difluoro-3-hydroxypropyl)pent-4-enamide
CID 106176820
N-(5-hydroxypentyl)-N'-prop-2-enyloxamide
CID 108525776
(2R)-2-amino-3-hydroxy-N-octylpropanamide
CID 82675053
8-[[2-amino-3-[[2-amino-3-(7-carboxyheptylamino)-3-oxopropyl]disulfanyl]propanoyl]amino]octanoic acid
CID 89495837

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(6-hydroxyhexyl)pent-4-enamide?
The IUPAC name of 2-amino-N-(6-hydroxyhexyl)pent-4-enamide (CID 107842505) is 2-amino-N-(6-hydroxyhexyl)pent-4-enamide.
What is the SMILES notation for 2-amino-N-(6-hydroxyhexyl)pent-4-enamide?
The canonical SMILES for 2-amino-N-(6-hydroxyhexyl)pent-4-enamide is C=CCC(N)C(=O)NCCCCCCO.
What is the InChIKey of 2-amino-N-(6-hydroxyhexyl)pent-4-enamide?
The InChIKey is MRWKECKGHARCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-2-7-10(12)11(15)13-8-5-3-4-6-9-14/h2,10,14H,1,3-9,12H2,(H,13,15).
What are the key properties of 2-amino-N-(6-hydroxyhexyl)pent-4-enamide?
2-amino-N-(6-hydroxyhexyl)pent-4-enamide has a molecular weight of 214.31 g/mol, XLogP of 0.56, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(6-hydroxyhexyl)pent-4-enamide is sourced from PubChem (CID 107842505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).