(1E,3Z)-2-fluoro-5-[3-(propylamino)propoxy]hexa-1,3-dien-1-amine

C12H23FN2O — CID 143898578

IUPAC(1E,3Z)-2-fluoro-5-[3-(propylamino)propoxy]hexa-1,3-dien-1-amine
SMILESCCCNCCCOC(C)/C=C\C(F)=C/N
InChIInChI=1S/C12H23FN2O/c1-3-7-15-8-4-9-16-11(2)5-6-12(13)10-14/h5-6,10-11,15H,3-4,7-9,14H2,1-2H3/b6-5-,12-10+
InChIKeyMOYDDPSZMDQVCK-UDMPHVCXSA-N
MW230.33 g/mol
LogP2.11
Rot. Bonds9

About (1E,3Z)-2-fluoro-5-[3-(propylamino)propoxy]hexa-1,3-dien-1-amine

(1E,3Z)-2-fluoro-5-[3-(propylamino)propoxy]hexa-1,3-dien-1-amine (PubChem CID 143898578) has the molecular formula C12H23FN2O and a molecular weight of 230.33 g/mol. Its IUPAC name is (1E,3Z)-2-fluoro-5-[3-(propylamino)propoxy]hexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-2-fluoro-5-[3-(propylamino)propoxy]hexa-1,3-dien-1-amine
PubChem CID143898578
Molecular FormulaC12H23FN2O
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC Name(1E,3Z)-2-fluoro-5-[3-(propylamino)propoxy]hexa-1,3-dien-1-amine
SMILESCCCNCCCOC(C)/C=C\C(F)=C/N
InChIInChI=1S/C12H23FN2O/c1-3-7-15-8-4-9-16-11(2)5-6-12(13)10-14/h5-6,10-11,15H,3-4,7-9,14H2,1-2H3/b6-5-,12-10+
InChIKeyMOYDDPSZMDQVCK-UDMPHVCXSA-N
XLogP2.11
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-2-fluoro-5-[3-(propylamino)propoxy]hexa-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-2-fluoro-5-[3-(propylamino)propoxy]hexa-1,3-dien-1-amine (CID 143898578) is (1E,3Z)-2-fluoro-5-[3-(propylamino)propoxy]hexa-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-2-fluoro-5-[3-(propylamino)propoxy]hexa-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-2-fluoro-5-[3-(propylamino)propoxy]hexa-1,3-dien-1-amine is CCCNCCCOC(C)/C=C\C(F)=C/N.
What is the InChIKey of (1E,3Z)-2-fluoro-5-[3-(propylamino)propoxy]hexa-1,3-dien-1-amine?
The InChIKey is MOYDDPSZMDQVCK-UDMPHVCXSA-N. The full InChI is InChI=1S/C12H23FN2O/c1-3-7-15-8-4-9-16-11(2)5-6-12(13)10-14/h5-6,10-11,15H,3-4,7-9,14H2,1-2H3/b6-5-,12-10+.
What are the key properties of (1E,3Z)-2-fluoro-5-[3-(propylamino)propoxy]hexa-1,3-dien-1-amine?
(1E,3Z)-2-fluoro-5-[3-(propylamino)propoxy]hexa-1,3-dien-1-amine has a molecular weight of 230.33 g/mol, XLogP of 2.11, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-2-fluoro-5-[3-(propylamino)propoxy]hexa-1,3-dien-1-amine is sourced from PubChem (CID 143898578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).