1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol

C18H37NO2 — CID 142924890

IUPAC1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol
SMILESC=C(CO)NC(O)CCCCCCCCCCCCCC
InChIInChI=1S/C18H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-17(2)16-20/h18-21H,2-16H2,1H3
InChIKeyINLBBSNOMNHYHE-UHFFFAOYSA-N
MW299.50 g/mol
LogP4.49
Rot. Bonds16

About 1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol

1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol (PubChem CID 142924890) has the molecular formula C18H37NO2 and a molecular weight of 299.50 g/mol. Its IUPAC name is 1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol.

Molecular Properties

Compound Name1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol
PubChem CID142924890
Molecular FormulaC18H37NO2
Molecular Weight299.50 g/mol
Exact Mass299.28
IUPAC Name1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol
SMILESC=C(CO)NC(O)CCCCCCCCCCCCCC
InChIInChI=1S/C18H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-17(2)16-20/h18-21H,2-16H2,1H3
InChIKeyINLBBSNOMNHYHE-UHFFFAOYSA-N
XLogP4.49
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 54.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

Ethyl(propan-2-yloxymethyl)tin;1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol
CID 142924888
2-(Nonadecan-3-ylamino)hexadec-1-en-3-ol
CID 143093240
2-(Pentylamino)non-1-en-3-ol
CID 167158137

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol?
The IUPAC name of 1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol (CID 142924890) is 1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol.
What is the SMILES notation for 1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol?
The canonical SMILES for 1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol is C=C(CO)NC(O)CCCCCCCCCCCCCC.
What is the InChIKey of 1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol?
The InChIKey is INLBBSNOMNHYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-17(2)16-20/h18-21H,2-16H2,1H3.
What are the key properties of 1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol?
1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol has a molecular weight of 299.50 g/mol, XLogP of 4.49, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyprop-1-en-2-ylamino)pentadecan-1-ol is sourced from PubChem (CID 142924890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).