3-(2-aminopropan-2-yl)nonadecan-1-ol

C22H47NO — CID 3014707

IUPAC3-(2-aminopropan-2-yl)nonadecan-1-ol
SMILESCCCCCCCCCCCCCCCCC(CCO)C(C)(C)N
InChIInChI=1S/C22H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19-20-24)22(2,3)23/h21,24H,4-20,23H2,1-3H3
InChIKeyIHMWJQPIPPRSDM-UHFFFAOYSA-N
MW341.62 g/mol
LogP6.59
Rot. Bonds18

About 3-(2-aminopropan-2-yl)nonadecan-1-ol

3-(2-aminopropan-2-yl)nonadecan-1-ol (PubChem CID 3014707) has the molecular formula C22H47NO and a molecular weight of 341.62 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)nonadecan-1-ol.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)nonadecan-1-ol
PubChem CID3014707
Molecular FormulaC22H47NO
Molecular Weight341.62 g/mol
Exact Mass341.37
IUPAC Name3-(2-aminopropan-2-yl)nonadecan-1-ol
SMILESCCCCCCCCCCCCCCCCC(CCO)C(C)(C)N
InChIInChI=1S/C22H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19-20-24)22(2,3)23/h21,24H,4-20,23H2,1-3H3
InChIKeyIHMWJQPIPPRSDM-UHFFFAOYSA-N
XLogP6.59
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.62
LogP ≤ 56.59
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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Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)nonadecan-1-ol?
The IUPAC name of 3-(2-aminopropan-2-yl)nonadecan-1-ol (CID 3014707) is 3-(2-aminopropan-2-yl)nonadecan-1-ol.
What is the SMILES notation for 3-(2-aminopropan-2-yl)nonadecan-1-ol?
The canonical SMILES for 3-(2-aminopropan-2-yl)nonadecan-1-ol is CCCCCCCCCCCCCCCCC(CCO)C(C)(C)N.
What is the InChIKey of 3-(2-aminopropan-2-yl)nonadecan-1-ol?
The InChIKey is IHMWJQPIPPRSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H47NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(19-20-24)22(2,3)23/h21,24H,4-20,23H2,1-3H3.
What are the key properties of 3-(2-aminopropan-2-yl)nonadecan-1-ol?
3-(2-aminopropan-2-yl)nonadecan-1-ol has a molecular weight of 341.62 g/mol, XLogP of 6.59, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)nonadecan-1-ol is sourced from PubChem (CID 3014707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).