(4Z)-N-(2-fluoropropyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine

C14H22FN — CID 155001807

IUPAC(4Z)-N-(2-fluoropropyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine
SMILESC=C(/C=C\C(C)=C(C)C)C(=C)NCC(C)F
InChIInChI=1S/C14H22FN/c1-10(2)11(3)7-8-12(4)14(6)16-9-13(5)15/h7-8,13,16H,4,6,9H2,1-3,5H3/b8-7-
InChIKeyMUNPKBJKMAWMOG-FPLPWBNLSA-N
MW223.33 g/mol
LogP3.92
Rot. Bonds6

About (4Z)-N-(2-fluoropropyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine

(4Z)-N-(2-fluoropropyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine (PubChem CID 155001807) has the molecular formula C14H22FN and a molecular weight of 223.33 g/mol. Its IUPAC name is (4Z)-N-(2-fluoropropyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine.

Molecular Properties

Compound Name(4Z)-N-(2-fluoropropyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine
PubChem CID155001807
Molecular FormulaC14H22FN
Molecular Weight223.33 g/mol
Exact Mass223.17
IUPAC Name(4Z)-N-(2-fluoropropyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine
SMILESC=C(/C=C\C(C)=C(C)C)C(=C)NCC(C)F
InChIInChI=1S/C14H22FN/c1-10(2)11(3)7-8-12(4)14(6)16-9-13(5)15/h7-8,13,16H,4,6,9H2,1-3,5H3/b8-7-
InChIKeyMUNPKBJKMAWMOG-FPLPWBNLSA-N
XLogP3.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4Z)-N-(2-fluoropropyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine?
The IUPAC name of (4Z)-N-(2-fluoropropyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine (CID 155001807) is (4Z)-N-(2-fluoropropyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine.
What is the SMILES notation for (4Z)-N-(2-fluoropropyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine?
The canonical SMILES for (4Z)-N-(2-fluoropropyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine is C=C(/C=C\C(C)=C(C)C)C(=C)NCC(C)F.
What is the InChIKey of (4Z)-N-(2-fluoropropyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine?
The InChIKey is MUNPKBJKMAWMOG-FPLPWBNLSA-N. The full InChI is InChI=1S/C14H22FN/c1-10(2)11(3)7-8-12(4)14(6)16-9-13(5)15/h7-8,13,16H,4,6,9H2,1-3,5H3/b8-7-.
What are the key properties of (4Z)-N-(2-fluoropropyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine?
(4Z)-N-(2-fluoropropyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine has a molecular weight of 223.33 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-(2-fluoropropyl)-6,7-dimethyl-3-methylideneocta-1,4,6-trien-2-amine is sourced from PubChem (CID 155001807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).