(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine

C9H16FNO — CID 142486635

IUPAC(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine
SMILESC=C(NC)/C(OCCC)=C(\C)F
InChIInChI=1S/C9H16FNO/c1-5-6-12-9(7(2)10)8(3)11-4/h11H,3,5-6H2,1-2,4H3/b9-7-
InChIKeyWFWMVEMXQLLAOL-CLFYSBASSA-N
MW173.23 g/mol
LogP2.35
Rot. Bonds5

About (3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine

(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine (PubChem CID 142486635) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is (3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine
PubChem CID142486635
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine
SMILESC=C(NC)/C(OCCC)=C(\C)F
InChIInChI=1S/C9H16FNO/c1-5-6-12-9(7(2)10)8(3)11-4/h11H,3,5-6H2,1-2,4H3/b9-7-
InChIKeyWFWMVEMXQLLAOL-CLFYSBASSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

ethane;(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine
CID 142486634
(3E,5E)-5-ethoxy-N-methylhepta-1,3,5-trien-4-amine
CID 143012572
ethane;(2E,4E)-4-methoxy-N-methylhepta-2,4,6-trien-3-amine
CID 145384624
(2E,4E)-4-methoxy-N-methylhexa-2,4-dien-3-amine
CID 143817238
CID 178629892
CID 178629892

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine?
The IUPAC name of (3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine (CID 142486635) is (3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine.
What is the SMILES notation for (3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine?
The canonical SMILES for (3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine is C=C(NC)/C(OCCC)=C(\C)F.
What is the InChIKey of (3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine?
The InChIKey is WFWMVEMXQLLAOL-CLFYSBASSA-N. The full InChI is InChI=1S/C9H16FNO/c1-5-6-12-9(7(2)10)8(3)11-4/h11H,3,5-6H2,1-2,4H3/b9-7-.
What are the key properties of (3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine?
(3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine has a molecular weight of 173.23 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-fluoro-N-methyl-3-propoxypenta-1,3-dien-2-amine is sourced from PubChem (CID 142486635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).