(2Z,4E)-6-fluoro-3-methyl-N-propan-2-ylhepta-2,4-dien-4-amine

C11H20FN — CID 143716059

IUPAC(2Z,4E)-6-fluoro-3-methyl-N-propan-2-ylhepta-2,4-dien-4-amine
SMILESC/C=C(C)\C(=C/C(C)F)NC(C)C
InChIInChI=1S/C11H20FN/c1-6-9(4)11(7-10(5)12)13-8(2)3/h6-8,10,13H,1-5H3/b9-6-,11-7+
InChIKeySEGYRJSLZGMXNC-STGKXFFCSA-N
MW185.29 g/mol
LogP3.19
Rot. Bonds4

About (2Z,4E)-6-fluoro-3-methyl-N-propan-2-ylhepta-2,4-dien-4-amine

(2Z,4E)-6-fluoro-3-methyl-N-propan-2-ylhepta-2,4-dien-4-amine (PubChem CID 143716059) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is (2Z,4E)-6-fluoro-3-methyl-N-propan-2-ylhepta-2,4-dien-4-amine.

Molecular Properties

Compound Name(2Z,4E)-6-fluoro-3-methyl-N-propan-2-ylhepta-2,4-dien-4-amine
PubChem CID143716059
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(2Z,4E)-6-fluoro-3-methyl-N-propan-2-ylhepta-2,4-dien-4-amine
SMILESC/C=C(C)\C(=C/C(C)F)NC(C)C
InChIInChI=1S/C11H20FN/c1-6-9(4)11(7-10(5)12)13-8(2)3/h6-8,10,13H,1-5H3/b9-6-,11-7+
InChIKeySEGYRJSLZGMXNC-STGKXFFCSA-N
XLogP3.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 53.19
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 (2Z,4E)-6-fluoro-3-methyl-N-propan-2-ylhepta-2,4-dien-4-amine?
The IUPAC name of (2Z,4E)-6-fluoro-3-methyl-N-propan-2-ylhepta-2,4-dien-4-amine (CID 143716059) is (2Z,4E)-6-fluoro-3-methyl-N-propan-2-ylhepta-2,4-dien-4-amine.
What is the SMILES notation for (2Z,4E)-6-fluoro-3-methyl-N-propan-2-ylhepta-2,4-dien-4-amine?
The canonical SMILES for (2Z,4E)-6-fluoro-3-methyl-N-propan-2-ylhepta-2,4-dien-4-amine is C/C=C(C)\C(=C/C(C)F)NC(C)C.
What is the InChIKey of (2Z,4E)-6-fluoro-3-methyl-N-propan-2-ylhepta-2,4-dien-4-amine?
The InChIKey is SEGYRJSLZGMXNC-STGKXFFCSA-N. The full InChI is InChI=1S/C11H20FN/c1-6-9(4)11(7-10(5)12)13-8(2)3/h6-8,10,13H,1-5H3/b9-6-,11-7+.
What are the key properties of (2Z,4E)-6-fluoro-3-methyl-N-propan-2-ylhepta-2,4-dien-4-amine?
(2Z,4E)-6-fluoro-3-methyl-N-propan-2-ylhepta-2,4-dien-4-amine has a molecular weight of 185.29 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-6-fluoro-3-methyl-N-propan-2-ylhepta-2,4-dien-4-amine is sourced from PubChem (CID 143716059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).