(2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine

C18H33FN2 — CID 156543123

IUPAC(2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine
SMILESCCCC(F)/C=C\C=C/CNCCC1CCN(CC)CC1
InChIInChI=1S/C18H33FN2/c1-3-8-18(19)9-6-5-7-13-20-14-10-17-11-15-21(4-2)16-12-17/h5-7,9,17-18,20H,3-4,8,10-16H2,1-2H3/b7-5-,9-6-
InChIKeyDRFVYSWCBAKOEH-BSIYMUDXSA-N
MW296.47 g/mol
LogP3.95
Rot. Bonds10

About (2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine

(2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine (PubChem CID 156543123) has the molecular formula C18H33FN2 and a molecular weight of 296.47 g/mol. Its IUPAC name is (2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine.

Molecular Properties

Compound Name(2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine
PubChem CID156543123
Molecular FormulaC18H33FN2
Molecular Weight296.47 g/mol
Exact Mass296.26
IUPAC Name(2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine
SMILESCCCC(F)/C=C\C=C/CNCCC1CCN(CC)CC1
InChIInChI=1S/C18H33FN2/c1-3-8-18(19)9-6-5-7-13-20-14-10-17-11-15-21(4-2)16-12-17/h5-7,9,17-18,20H,3-4,8,10-16H2,1-2H3/b7-5-,9-6-
InChIKeyDRFVYSWCBAKOEH-BSIYMUDXSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.47
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine?
The IUPAC name of (2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine (CID 156543123) is (2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine.
What is the SMILES notation for (2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine?
The canonical SMILES for (2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine is CCCC(F)/C=C\C=C/CNCCC1CCN(CC)CC1.
What is the InChIKey of (2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine?
The InChIKey is DRFVYSWCBAKOEH-BSIYMUDXSA-N. The full InChI is InChI=1S/C18H33FN2/c1-3-8-18(19)9-6-5-7-13-20-14-10-17-11-15-21(4-2)16-12-17/h5-7,9,17-18,20H,3-4,8,10-16H2,1-2H3/b7-5-,9-6-.
What are the key properties of (2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine?
(2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine has a molecular weight of 296.47 g/mol, XLogP of 3.95, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-[2-(1-ethylpiperidin-4-yl)ethyl]-6-fluoronona-2,4-dien-1-amine is sourced from PubChem (CID 156543123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).