(1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine

C11H20FN — CID 163475037

IUPAC(1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine
SMILESC/C=C(C(=C\F)\N(C)CC)/C(C)C
InChIInChI=1S/C11H20FN/c1-6-10(9(3)4)11(8-12)13(5)7-2/h6,8-9H,7H2,1-5H3/b10-6-,11-8-
InChIKeyBZSRFXVSXITYFQ-XNFNPUBGSA-N
MW185.29 g/mol
LogP3.35
Rot. Bonds4

About (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine

(1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine (PubChem CID 163475037) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine.

Molecular Properties

Compound Name(1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine
PubChem CID163475037
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name(1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine
SMILESC/C=C(C(=C\F)\N(C)CC)/C(C)C
InChIInChI=1S/C11H20FN/c1-6-10(9(3)4)11(8-12)13(5)7-2/h6,8-9H,7H2,1-5H3/b10-6-,11-8-
InChIKeyBZSRFXVSXITYFQ-XNFNPUBGSA-N
XLogP3.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 53.35
H-Bond Donors ≤ 50
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 (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine?
The IUPAC name of (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine (CID 163475037) is (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine.
What is the SMILES notation for (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine?
The canonical SMILES for (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine is C/C=C(C(=C\F)\N(C)CC)/C(C)C.
What is the InChIKey of (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine?
The InChIKey is BZSRFXVSXITYFQ-XNFNPUBGSA-N. The full InChI is InChI=1S/C11H20FN/c1-6-10(9(3)4)11(8-12)13(5)7-2/h6,8-9H,7H2,1-5H3/b10-6-,11-8-.
What are the key properties of (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine?
(1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine has a molecular weight of 185.29 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3Z)-N-ethyl-1-fluoro-N-methyl-3-propan-2-ylpenta-1,3-dien-2-amine is sourced from PubChem (CID 163475037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).