(2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine

C11H18FN — CID 129146420

IUPAC(2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine
SMILESC=C/C=C(\C=C(\F)CNC)C(C)C
InChIInChI=1S/C11H18FN/c1-5-6-10(9(2)3)7-11(12)8-13-4/h5-7,9,13H,1,8H2,2-4H3/b10-6+,11-7+
InChIKeyRXUQPFUQCGFFAP-JMQWPVDRSA-N
MW183.27 g/mol
LogP2.83
Rot. Bonds5

About (2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine

(2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine (PubChem CID 129146420) has the molecular formula C11H18FN and a molecular weight of 183.27 g/mol. Its IUPAC name is (2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine
PubChem CID129146420
Molecular FormulaC11H18FN
Molecular Weight183.27 g/mol
Exact Mass183.14
IUPAC Name(2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine
SMILESC=C/C=C(\C=C(\F)CNC)C(C)C
InChIInChI=1S/C11H18FN/c1-5-6-10(9(2)3)7-11(12)8-13-4/h5-7,9,13H,1,8H2,2-4H3/b10-6+,11-7+
InChIKeyRXUQPFUQCGFFAP-JMQWPVDRSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine?
The IUPAC name of (2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine (CID 129146420) is (2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine.
What is the SMILES notation for (2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine?
The canonical SMILES for (2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine is C=C/C=C(\C=C(\F)CNC)C(C)C.
What is the InChIKey of (2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine?
The InChIKey is RXUQPFUQCGFFAP-JMQWPVDRSA-N. The full InChI is InChI=1S/C11H18FN/c1-5-6-10(9(2)3)7-11(12)8-13-4/h5-7,9,13H,1,8H2,2-4H3/b10-6+,11-7+.
What are the key properties of (2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine?
(2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine has a molecular weight of 183.27 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2-fluoro-N-methyl-4-propan-2-ylhepta-2,4,6-trien-1-amine is sourced from PubChem (CID 129146420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).