hexadecan-1-amine;propan-1-ol

C19H43NO — CID 174670942

IUPAChexadecan-1-amine;propan-1-ol
SMILESCCCCCCCCCCCCCCCCN.CCCO
InChIInChI=1S/C16H35N.C3H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-3-4/h2-17H2,1H3;4H,2-3H2,1H3
InChIKeyYREBTMKRBDLLHI-UHFFFAOYSA-N
MW301.56 g/mol
LogP5.82
Rot. Bonds15

About hexadecan-1-amine;propan-1-ol

hexadecan-1-amine;propan-1-ol (PubChem CID 174670942) has the molecular formula C19H43NO and a molecular weight of 301.56 g/mol. Its IUPAC name is hexadecan-1-amine;propan-1-ol.

Molecular Properties

Compound Namehexadecan-1-amine;propan-1-ol
PubChem CID174670942
Molecular FormulaC19H43NO
Molecular Weight301.56 g/mol
Exact Mass301.33
IUPAC Namehexadecan-1-amine;propan-1-ol
SMILESCCCCCCCCCCCCCCCCN.CCCO
InChIInChI=1S/C16H35N.C3H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-3-4/h2-17H2,1H3;4H,2-3H2,1H3
InChIKeyYREBTMKRBDLLHI-UHFFFAOYSA-N
XLogP5.82
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.56
LogP ≤ 55.82
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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tetracosan-1-amine;hydrobromide
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decane;decane-1,10-diamine;methanediamine
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Frequently Asked Questions

What is the IUPAC name of hexadecan-1-amine;propan-1-ol?
The IUPAC name of hexadecan-1-amine;propan-1-ol (CID 174670942) is hexadecan-1-amine;propan-1-ol.
What is the SMILES notation for hexadecan-1-amine;propan-1-ol?
The canonical SMILES for hexadecan-1-amine;propan-1-ol is CCCCCCCCCCCCCCCCN.CCCO.
What is the InChIKey of hexadecan-1-amine;propan-1-ol?
The InChIKey is YREBTMKRBDLLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35N.C3H8O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17;1-2-3-4/h2-17H2,1H3;4H,2-3H2,1H3.
What are the key properties of hexadecan-1-amine;propan-1-ol?
hexadecan-1-amine;propan-1-ol has a molecular weight of 301.56 g/mol, XLogP of 5.82, 15 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexadecan-1-amine;propan-1-ol is sourced from PubChem (CID 174670942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).