2-amino-3-[[(E)-5-fluorohex-4-enyl]-[(Z)-pent-3-en-2-yl]amino]propan-1-ol

C14H27FN2O — CID 143009133

IUPAC2-amino-3-[[(E)-5-fluorohex-4-enyl]-[(Z)-pent-3-en-2-yl]amino]propan-1-ol
SMILESC/C=C\C(C)N(CCC/C=C(\C)F)CC(N)CO
InChIInChI=1S/C14H27FN2O/c1-4-7-13(3)17(10-14(16)11-18)9-6-5-8-12(2)15/h4,7-8,13-14,18H,5-6,9-11,16H2,1-3H3/b7-4-,12-8+
InChIKeyVSJNVZQDAKMARG-OTIJGBKASA-N
MW258.38 g/mol
LogP2.23
Rot. Bonds9

About 2-amino-3-[[(E)-5-fluorohex-4-enyl]-[(Z)-pent-3-en-2-yl]amino]propan-1-ol

2-amino-3-[[(E)-5-fluorohex-4-enyl]-[(Z)-pent-3-en-2-yl]amino]propan-1-ol (PubChem CID 143009133) has the molecular formula C14H27FN2O and a molecular weight of 258.38 g/mol. Its IUPAC name is 2-amino-3-[[(E)-5-fluorohex-4-enyl]-[(Z)-pent-3-en-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[[(E)-5-fluorohex-4-enyl]-[(Z)-pent-3-en-2-yl]amino]propan-1-ol
PubChem CID143009133
Molecular FormulaC14H27FN2O
Molecular Weight258.38 g/mol
Exact Mass258.21
IUPAC Name2-amino-3-[[(E)-5-fluorohex-4-enyl]-[(Z)-pent-3-en-2-yl]amino]propan-1-ol
SMILESC/C=C\C(C)N(CCC/C=C(\C)F)CC(N)CO
InChIInChI=1S/C14H27FN2O/c1-4-7-13(3)17(10-14(16)11-18)9-6-5-8-12(2)15/h4,7-8,13-14,18H,5-6,9-11,16H2,1-3H3/b7-4-,12-8+
InChIKeyVSJNVZQDAKMARG-OTIJGBKASA-N
XLogP2.23
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.38
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

CID 68213322
CID 68213322
CID 89154035
CID 89154035
CID 169907239
CID 169907239
CID 3461554
CID 3461554
CID 82358849
CID 82358849
CID 116032982
CID 116032982

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[(E)-5-fluorohex-4-enyl]-[(Z)-pent-3-en-2-yl]amino]propan-1-ol?
The IUPAC name of 2-amino-3-[[(E)-5-fluorohex-4-enyl]-[(Z)-pent-3-en-2-yl]amino]propan-1-ol (CID 143009133) is 2-amino-3-[[(E)-5-fluorohex-4-enyl]-[(Z)-pent-3-en-2-yl]amino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[[(E)-5-fluorohex-4-enyl]-[(Z)-pent-3-en-2-yl]amino]propan-1-ol?
The canonical SMILES for 2-amino-3-[[(E)-5-fluorohex-4-enyl]-[(Z)-pent-3-en-2-yl]amino]propan-1-ol is C/C=C\C(C)N(CCC/C=C(\C)F)CC(N)CO.
What is the InChIKey of 2-amino-3-[[(E)-5-fluorohex-4-enyl]-[(Z)-pent-3-en-2-yl]amino]propan-1-ol?
The InChIKey is VSJNVZQDAKMARG-OTIJGBKASA-N. The full InChI is InChI=1S/C14H27FN2O/c1-4-7-13(3)17(10-14(16)11-18)9-6-5-8-12(2)15/h4,7-8,13-14,18H,5-6,9-11,16H2,1-3H3/b7-4-,12-8+.
What are the key properties of 2-amino-3-[[(E)-5-fluorohex-4-enyl]-[(Z)-pent-3-en-2-yl]amino]propan-1-ol?
2-amino-3-[[(E)-5-fluorohex-4-enyl]-[(Z)-pent-3-en-2-yl]amino]propan-1-ol has a molecular weight of 258.38 g/mol, XLogP of 2.23, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[(E)-5-fluorohex-4-enyl]-[(Z)-pent-3-en-2-yl]amino]propan-1-ol is sourced from PubChem (CID 143009133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).