1-(oxetan-2-yl)heptadecan-4-amine

C20H41NO — CID 67766424

IUPAC1-(oxetan-2-yl)heptadecan-4-amine
SMILESCCCCCCCCCCCCCC(N)CCCC1CCO1
InChIInChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-19(21)15-13-16-20-17-18-22-20/h19-20H,2-18,21H2,1H3
InChIKeyOLOHWGJTUAQWGS-UHFFFAOYSA-N
MW311.55 g/mol
LogP5.97
Rot. Bonds16

About 1-(oxetan-2-yl)heptadecan-4-amine

1-(oxetan-2-yl)heptadecan-4-amine (PubChem CID 67766424) has the molecular formula C20H41NO and a molecular weight of 311.55 g/mol. Its IUPAC name is 1-(oxetan-2-yl)heptadecan-4-amine.

Molecular Properties

Compound Name1-(oxetan-2-yl)heptadecan-4-amine
PubChem CID67766424
Molecular FormulaC20H41NO
Molecular Weight311.55 g/mol
Exact Mass311.32
IUPAC Name1-(oxetan-2-yl)heptadecan-4-amine
SMILESCCCCCCCCCCCCCC(N)CCCC1CCO1
InChIInChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-19(21)15-13-16-20-17-18-22-20/h19-20H,2-18,21H2,1H3
InChIKeyOLOHWGJTUAQWGS-UHFFFAOYSA-N
XLogP5.97
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.55
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine
CID 67045755
1-(oxan-2-yl)nonan-3-amine
CID 115833397
2-octadecyloxetane
CID 168986267
2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane
CID 66633096
2-(9-ethylpentadecyl)oxetane
CID 173032138
ethanol;2-pentadecyloxetane
CID 68938646
2-[7-[11-(oxetan-2-yl)undecan-5-yloxy]undecyl]oxetane
CID 66633515
2-methyldecan-5-amine;4-methyl-2-(4-methylpentyl)morpholine
CID 176694052
(4R)-tridecan-4-amine
CID 150614684
2-tetradecyloxolane
CID 10683364
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570

Frequently Asked Questions

What is the IUPAC name of 1-(oxetan-2-yl)heptadecan-4-amine?
The IUPAC name of 1-(oxetan-2-yl)heptadecan-4-amine (CID 67766424) is 1-(oxetan-2-yl)heptadecan-4-amine.
What is the SMILES notation for 1-(oxetan-2-yl)heptadecan-4-amine?
The canonical SMILES for 1-(oxetan-2-yl)heptadecan-4-amine is CCCCCCCCCCCCCC(N)CCCC1CCO1.
What is the InChIKey of 1-(oxetan-2-yl)heptadecan-4-amine?
The InChIKey is OLOHWGJTUAQWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-19(21)15-13-16-20-17-18-22-20/h19-20H,2-18,21H2,1H3.
What are the key properties of 1-(oxetan-2-yl)heptadecan-4-amine?
1-(oxetan-2-yl)heptadecan-4-amine has a molecular weight of 311.55 g/mol, XLogP of 5.97, 16 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxetan-2-yl)heptadecan-4-amine is sourced from PubChem (CID 67766424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).