4-(2-aminopropan-2-yl)icosan-2-ol

C23H49NO — CID 87495669

IUPAC4-(2-aminopropan-2-yl)icosan-2-ol
SMILESCCCCCCCCCCCCCCCCC(CC(C)O)C(C)(C)N
InChIInChI=1S/C23H49NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(20-21(2)25)23(3,4)24/h21-22,25H,5-20,24H2,1-4H3
InChIKeySTQSZELNDFALRN-UHFFFAOYSA-N
MW355.65 g/mol
LogP6.98
Rot. Bonds18

About 4-(2-aminopropan-2-yl)icosan-2-ol

4-(2-aminopropan-2-yl)icosan-2-ol (PubChem CID 87495669) has the molecular formula C23H49NO and a molecular weight of 355.65 g/mol. Its IUPAC name is 4-(2-aminopropan-2-yl)icosan-2-ol.

Molecular Properties

Compound Name4-(2-aminopropan-2-yl)icosan-2-ol
PubChem CID87495669
Molecular FormulaC23H49NO
Molecular Weight355.65 g/mol
Exact Mass355.38
IUPAC Name4-(2-aminopropan-2-yl)icosan-2-ol
SMILESCCCCCCCCCCCCCCCCC(CC(C)O)C(C)(C)N
InChIInChI=1S/C23H49NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(20-21(2)25)23(3,4)24/h21-22,25H,5-20,24H2,1-4H3
InChIKeySTQSZELNDFALRN-UHFFFAOYSA-N
XLogP6.98
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.65
LogP ≤ 56.98
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

3-hexyl-2-methylundecan-2-amine
CID 89005835
4-(2-aminopropan-2-yl)-1-chloroicosan-2-ol;hydrobromide
CID 173086474
3-ethyl-2-methylnonan-2-amine
CID 175488413
5-ethyl-3-hexyl-2-methylnonan-2-amine
CID 3024221
3-ethyl-2-methylnonadecan-2-amine;hydrobromide
CID 173248519
(2R,4R)-decane-2,4-diol
CID 16752205
3-(2-aminopropan-2-yl)nonan-2-ol
CID 87504447
3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride
CID 175072736
2,3-dimethylhexadecan-2-amine
CID 87479269
(2S)-octadecan-2-ol
CID 25022019
heptan-2-ol;hydroxylamine
CID 88625997
docosan-2-ol
CID 14151025

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropan-2-yl)icosan-2-ol?
The IUPAC name of 4-(2-aminopropan-2-yl)icosan-2-ol (CID 87495669) is 4-(2-aminopropan-2-yl)icosan-2-ol.
What is the SMILES notation for 4-(2-aminopropan-2-yl)icosan-2-ol?
The canonical SMILES for 4-(2-aminopropan-2-yl)icosan-2-ol is CCCCCCCCCCCCCCCCC(CC(C)O)C(C)(C)N.
What is the InChIKey of 4-(2-aminopropan-2-yl)icosan-2-ol?
The InChIKey is STQSZELNDFALRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H49NO/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(20-21(2)25)23(3,4)24/h21-22,25H,5-20,24H2,1-4H3.
What are the key properties of 4-(2-aminopropan-2-yl)icosan-2-ol?
4-(2-aminopropan-2-yl)icosan-2-ol has a molecular weight of 355.65 g/mol, XLogP of 6.98, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropan-2-yl)icosan-2-ol is sourced from PubChem (CID 87495669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).