(Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine

C20H39NO — CID 67045755

IUPAC(Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine
SMILESCCCCCCCC/C=C\CCCC(N)CCCC1CCO1
InChIInChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-19(21)15-13-16-20-17-18-22-20/h9-10,19-20H,2-8,11-18,21H2,1H3/b10-9-
InChIKeyMNAAZNJZVVGZLM-KTKRTIGZSA-N
MW309.54 g/mol
LogP5.75
Rot. Bonds15

About (Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine

(Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine (PubChem CID 67045755) has the molecular formula C20H39NO and a molecular weight of 309.54 g/mol. Its IUPAC name is (Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine.

Molecular Properties

Compound Name(Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine
PubChem CID67045755
Molecular FormulaC20H39NO
Molecular Weight309.54 g/mol
Exact Mass309.30
IUPAC Name(Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine
SMILESCCCCCCCC/C=C\CCCC(N)CCCC1CCO1
InChIInChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-19(21)15-13-16-20-17-18-22-20/h9-10,19-20H,2-8,11-18,21H2,1H3/b10-9-
InChIKeyMNAAZNJZVVGZLM-KTKRTIGZSA-N
XLogP5.75
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.54
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(oxetan-2-yl)heptadecan-4-amine
CID 67766424
2-octadecyloxetane
CID 168986267
heptatriaconta-6,28-dien-19-amine
CID 123539967
1-(oxan-2-yl)nonan-3-amine
CID 115833397
2-nonadec-10-enyloxirane
CID 54194145
(9Z,12Z)-octadeca-9,12-dien-4-amine
CID 140562602
2-[4-[1-(oxetan-2-yl)nonan-4-yloxy]nonyl]oxetane
CID 66633096
2-(9-ethylpentadecyl)oxetane
CID 173032138
(Z)-dodec-6-en-2-amine
CID 55253643
2-[7-[11-(oxetan-2-yl)undecan-5-yloxy]undecyl]oxetane
CID 66633515
5-(oxolan-2-yl)-1-propoxypentan-2-amine
CID 65164244
1-methoxy-7-(oxolan-2-yl)heptan-4-amine
CID 65164869

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine?
The IUPAC name of (Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine (CID 67045755) is (Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine.
What is the SMILES notation for (Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine?
The canonical SMILES for (Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine is CCCCCCCC/C=C\CCCC(N)CCCC1CCO1.
What is the InChIKey of (Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine?
The InChIKey is MNAAZNJZVVGZLM-KTKRTIGZSA-N. The full InChI is InChI=1S/C20H39NO/c1-2-3-4-5-6-7-8-9-10-11-12-14-19(21)15-13-16-20-17-18-22-20/h9-10,19-20H,2-8,11-18,21H2,1H3/b10-9-.
What are the key properties of (Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine?
(Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine has a molecular weight of 309.54 g/mol, XLogP of 5.75, 15 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(oxetan-2-yl)heptadec-8-en-4-amine is sourced from PubChem (CID 67045755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).