4-ethyl-1-(3-ethylundecan-4-ylamino)hexan-3-ol

C21H45NO — CID 151463311

IUPAC4-ethyl-1-(3-ethylundecan-4-ylamino)hexan-3-ol
SMILESCCCCCCCC(NCCC(O)C(CC)CC)C(CC)CC
InChIInChI=1S/C21H45NO/c1-6-11-12-13-14-15-20(18(7-2)8-3)22-17-16-21(23)19(9-4)10-5/h18-23H,6-17H2,1-5H3
InChIKeyPIXWRLOWVIULJG-UHFFFAOYSA-N
MW327.60 g/mol
LogP5.93
Rot. Bonds16

About 4-ethyl-1-(3-ethylundecan-4-ylamino)hexan-3-ol

4-ethyl-1-(3-ethylundecan-4-ylamino)hexan-3-ol (PubChem CID 151463311) has the molecular formula C21H45NO and a molecular weight of 327.60 g/mol. Its IUPAC name is 4-ethyl-1-(3-ethylundecan-4-ylamino)hexan-3-ol.

Molecular Properties

Compound Name4-ethyl-1-(3-ethylundecan-4-ylamino)hexan-3-ol
PubChem CID151463311
Molecular FormulaC21H45NO
Molecular Weight327.60 g/mol
Exact Mass327.35
IUPAC Name4-ethyl-1-(3-ethylundecan-4-ylamino)hexan-3-ol
SMILESCCCCCCCC(NCCC(O)C(CC)CC)C(CC)CC
InChIInChI=1S/C21H45NO/c1-6-11-12-13-14-15-20(18(7-2)8-3)22-17-16-21(23)19(9-4)10-5/h18-23H,6-17H2,1-5H3
InChIKeyPIXWRLOWVIULJG-UHFFFAOYSA-N
XLogP5.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.60
LogP ≤ 55.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 123687092
(2S,3S,4S,5R)-2-ethyl-3-(fluoromethyl)-5-methylpiperidin-4-ol
CID 164085911
(s)-N-dodecyl leucinol
CID 129847200
Cyclohexanol, 2-[[(1-methyloctyl)amino]methyl]-
CID 64929242
1-(2,8-Dimethylnonan-5-ylamino)propan-2-ol
CID 277025
(2R,4R)-2-Isopropylpiperidine-4-ol
CID 12100024
2,2,5,6-Tetramethylpiperidin-4-ol
CID 19025963
1-[3-(2,8-Dimethylnonan-5-ylamino)propyl]piperidin-4-ol
CID 19026102
1-[2-(2,8-Dimethylnonan-5-ylamino)ethyl]piperidin-4-ol
CID 19026110
1-[3-[[5-Methyl-2-(2-methylpropyl)hexyl]amino]propyl]piperidin-4-ol
CID 19026111
5,6-Dimethyl-3-(methylamino)octan-4-ol
CID 20658869
3-Ethyl-5-propylpiperidin-4-ol
CID 20773337

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(3-ethylundecan-4-ylamino)hexan-3-ol?
The IUPAC name of 4-ethyl-1-(3-ethylundecan-4-ylamino)hexan-3-ol (CID 151463311) is 4-ethyl-1-(3-ethylundecan-4-ylamino)hexan-3-ol.
What is the SMILES notation for 4-ethyl-1-(3-ethylundecan-4-ylamino)hexan-3-ol?
The canonical SMILES for 4-ethyl-1-(3-ethylundecan-4-ylamino)hexan-3-ol is CCCCCCCC(NCCC(O)C(CC)CC)C(CC)CC.
What is the InChIKey of 4-ethyl-1-(3-ethylundecan-4-ylamino)hexan-3-ol?
The InChIKey is PIXWRLOWVIULJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H45NO/c1-6-11-12-13-14-15-20(18(7-2)8-3)22-17-16-21(23)19(9-4)10-5/h18-23H,6-17H2,1-5H3.
What are the key properties of 4-ethyl-1-(3-ethylundecan-4-ylamino)hexan-3-ol?
4-ethyl-1-(3-ethylundecan-4-ylamino)hexan-3-ol has a molecular weight of 327.60 g/mol, XLogP of 5.93, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(3-ethylundecan-4-ylamino)hexan-3-ol is sourced from PubChem (CID 151463311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).