3-(6-hydroxyhexylamino)-N-propylpropanamide

C12H26N2O2 — CID 107703341

IUPAC3-(6-hydroxyhexylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNCCCCCCO
InChIInChI=1S/C12H26N2O2/c1-2-8-14-12(16)7-10-13-9-5-3-4-6-11-15/h13,15H,2-11H2,1H3,(H,14,16)
InChIKeySNAZWZDQTSJGGU-UHFFFAOYSA-N
MW230.35 g/mol
LogP1.04
Rot. Bonds11

About 3-(6-hydroxyhexylamino)-N-propylpropanamide

3-(6-hydroxyhexylamino)-N-propylpropanamide (PubChem CID 107703341) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 3-(6-hydroxyhexylamino)-N-propylpropanamide.

Molecular Properties

Compound Name3-(6-hydroxyhexylamino)-N-propylpropanamide
PubChem CID107703341
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name3-(6-hydroxyhexylamino)-N-propylpropanamide
SMILESCCCNC(=O)CCNCCCCCCO
InChIInChI=1S/C12H26N2O2/c1-2-8-14-12(16)7-10-13-9-5-3-4-6-11-15/h13,15H,2-11H2,1H3,(H,14,16)
InChIKeySNAZWZDQTSJGGU-UHFFFAOYSA-N
XLogP1.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-dodecyl-3-(3-hydroxypropylamino)propanamide
CID 58164940
N-ethyl-3-(6-hydroxyhexylamino)propanamide
CID 107703596
3-(hexylamino)-N-tetradecylpropanamide
CID 58105395
3-[5-(6-oxodecylamino)pentylamino]-N-propylpropanamide
CID 58040564
12-hydroxy-N-[5-(7-oxopentapentacontylamino)pentyl]dodecanamide
CID 158068509
6-hydroxy-N-tetradecylhexanamide
CID 20542961
18-hydroxy-N-octadecyloctadecanamide
CID 10984479
(E)-N-[2-(8-hydroxyoctylamino)ethyl]oct-4-enamide
CID 101274790
3-[3-[bis(2-hydroxyethyl)amino]propylamino]-N-hexadecylpropanamide
CID 58040536
N-dodecyl-6-(2-hydroxyethylamino)hexanamide
CID 58105463
3-(4-methylpentylamino)-N-propylpropanamide
CID 83156372
N-dodecyl-3-[[3-(dodecylamino)-3-oxopropyl]-(3-hydroxypropyl)amino]propanamide;N-dodecyl-3-(3-hydroxypropylamino)propanamide;methane
CID 159916447

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxyhexylamino)-N-propylpropanamide?
The IUPAC name of 3-(6-hydroxyhexylamino)-N-propylpropanamide (CID 107703341) is 3-(6-hydroxyhexylamino)-N-propylpropanamide.
What is the SMILES notation for 3-(6-hydroxyhexylamino)-N-propylpropanamide?
The canonical SMILES for 3-(6-hydroxyhexylamino)-N-propylpropanamide is CCCNC(=O)CCNCCCCCCO.
What is the InChIKey of 3-(6-hydroxyhexylamino)-N-propylpropanamide?
The InChIKey is SNAZWZDQTSJGGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-2-8-14-12(16)7-10-13-9-5-3-4-6-11-15/h13,15H,2-11H2,1H3,(H,14,16).
What are the key properties of 3-(6-hydroxyhexylamino)-N-propylpropanamide?
3-(6-hydroxyhexylamino)-N-propylpropanamide has a molecular weight of 230.35 g/mol, XLogP of 1.04, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-hydroxyhexylamino)-N-propylpropanamide is sourced from PubChem (CID 107703341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).