(5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine

C11H18FN — CID 137390775

IUPAC(5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine
SMILESC=C/C=C\C(=C)C(C)C(C)NCF
InChIInChI=1S/C11H18FN/c1-5-6-7-9(2)10(3)11(4)13-8-12/h5-7,10-11,13H,1-2,8H2,3-4H3/b7-6-
InChIKeyPIUOSNJQCVFZNN-SREVYHEPSA-N
MW183.27 g/mol
LogP2.83
Rot. Bonds6

About (5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine

(5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine (PubChem CID 137390775) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine.

Molecular Properties

Compound Name(5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine
PubChem CID137390775
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine
SMILESC=C/C=C\C(=C)C(C)C(C)NCF
InChIInChI=1S/C11H18FN/c1-5-6-7-9(2)10(3)11(4)13-8-12/h5-7,10-11,13H,1-2,8H2,3-4H3/b7-6-
InChIKeyPIUOSNJQCVFZNN-SREVYHEPSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.27
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine?
The IUPAC name of (5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine (CID 137390775) is (5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine.
What is the SMILES notation for (5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine?
The canonical SMILES for (5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine is C=C/C=C\C(=C)C(C)C(C)NCF.
What is the InChIKey of (5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine?
The InChIKey is PIUOSNJQCVFZNN-SREVYHEPSA-N. The full InChI is InChI=1S/C11H18FN/c1-5-6-7-9(2)10(3)11(4)13-8-12/h5-7,10-11,13H,1-2,8H2,3-4H3/b7-6-.
What are the key properties of (5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine?
(5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine has a molecular weight of 183.27 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-N-(fluoromethyl)-3-methyl-4-methylideneocta-5,7-dien-2-amine is sourced from PubChem (CID 137390775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).