2-(2-hydroxyethylamino)hexanal

C8H17NO2 — CID 174299334

IUPAC2-(2-hydroxyethylamino)hexanal
SMILESCCCCC(C=O)NCCO
InChIInChI=1S/C8H17NO2/c1-2-3-4-8(7-11)9-5-6-10/h7-10H,2-6H2,1H3
InChIKeyRLFQRPZFDDQJOS-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.33
Rot. Bonds7

About 2-(2-hydroxyethylamino)hexanal

2-(2-hydroxyethylamino)hexanal (PubChem CID 174299334) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 2-(2-hydroxyethylamino)hexanal.

Molecular Properties

Compound Name2-(2-hydroxyethylamino)hexanal
PubChem CID174299334
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name2-(2-hydroxyethylamino)hexanal
SMILESCCCCC(C=O)NCCO
InChIInChI=1S/C8H17NO2/c1-2-3-4-8(7-11)9-5-6-10/h7-10H,2-6H2,1H3
InChIKeyRLFQRPZFDDQJOS-UHFFFAOYSA-N
XLogP0.33
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(butylamino)butanal
CID 54251429
(2S)-2-(hydroxyamino)heptanal
CID 143783582
(3S)-3-(butylamino)-4-oxobutanoic acid
CID 173338581
N-(1-oxohexan-2-yl)decanamide
CID 57129531
N-(1-hydroxyhexan-2-yl)formamide
CID 91256811
2-(3-methylheptylamino)ethanol
CID 87944554
2-(2-hydroxyethylamino)hexadecan-1-ol
CID 87123579
(4S)-4-(2-ethylhexylamino)-5-oxopentanoic acid
CID 90948928
(2R)-2,3-diamino-N-[(2R)-1-oxohexan-2-yl]propanamide
CID 88560908
2-(2-aminohexylamino)ethanol
CID 83960481
acetic acid;bis(2-(butylamino)ethanol)
CID 172848833
2-[[(2R)-2-propan-2-ylhexyl]amino]ethanol
CID 122598675

Frequently Asked Questions

What is the IUPAC name of 2-(2-hydroxyethylamino)hexanal?
The IUPAC name of 2-(2-hydroxyethylamino)hexanal (CID 174299334) is 2-(2-hydroxyethylamino)hexanal.
What is the SMILES notation for 2-(2-hydroxyethylamino)hexanal?
The canonical SMILES for 2-(2-hydroxyethylamino)hexanal is CCCCC(C=O)NCCO.
What is the InChIKey of 2-(2-hydroxyethylamino)hexanal?
The InChIKey is RLFQRPZFDDQJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-3-4-8(7-11)9-5-6-10/h7-10H,2-6H2,1H3.
What are the key properties of 2-(2-hydroxyethylamino)hexanal?
2-(2-hydroxyethylamino)hexanal has a molecular weight of 159.23 g/mol, XLogP of 0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-hydroxyethylamino)hexanal is sourced from PubChem (CID 174299334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).