(2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine

C15H28FN — CID 134449399

IUPAC(2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine
SMILESC/C=C(CC)\C(=C/C)N(C)C(CCC)CCF
InChIInChI=1S/C15H28FN/c1-6-10-14(11-12-16)17(5)15(9-4)13(7-2)8-3/h7,9,14H,6,8,10-12H2,1-5H3/b13-7-,15-9+
InChIKeyQJFYQRQVSCSTQN-MACQCPQCSA-N
MW241.39 g/mol
LogP4.71
Rot. Bonds8

About (2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine

(2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine (PubChem CID 134449399) has the molecular formula C15H28FN and a molecular weight of 241.39 g/mol. Its IUPAC name is (2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine.

Molecular Properties

Compound Name(2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine
PubChem CID134449399
Molecular FormulaC15H28FN
Molecular Weight241.39 g/mol
Exact Mass241.22
IUPAC Name(2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine
SMILESC/C=C(CC)\C(=C/C)N(C)C(CCC)CCF
InChIInChI=1S/C15H28FN/c1-6-10-14(11-12-16)17(5)15(9-4)13(7-2)8-3/h7,9,14H,6,8,10-12H2,1-5H3/b13-7-,15-9+
InChIKeyQJFYQRQVSCSTQN-MACQCPQCSA-N
XLogP4.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.39
LogP ≤ 54.71
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 (2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine?
The IUPAC name of (2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine (CID 134449399) is (2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine.
What is the SMILES notation for (2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine?
The canonical SMILES for (2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine is C/C=C(CC)\C(=C/C)N(C)C(CCC)CCF.
What is the InChIKey of (2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine?
The InChIKey is QJFYQRQVSCSTQN-MACQCPQCSA-N. The full InChI is InChI=1S/C15H28FN/c1-6-10-14(11-12-16)17(5)15(9-4)13(7-2)8-3/h7,9,14H,6,8,10-12H2,1-5H3/b13-7-,15-9+.
What are the key properties of (2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine?
(2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine has a molecular weight of 241.39 g/mol, XLogP of 4.71, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-ethyl-N-(1-fluorohexan-3-yl)-N-methylhexa-2,4-dien-3-amine is sourced from PubChem (CID 134449399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).