6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine

C24H42FN — CID 135225512

IUPAC6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine
SMILESC/C=C\C1C=C(CCCCCCN)C=CC1CCCCCCC(F)CC
InChIInChI=1S/C24H42FN/c1-3-13-23-20-21(14-9-7-8-12-19-26)17-18-22(23)15-10-5-6-11-16-24(25)4-2/h3,13,17-18,20,22-24H,4-12,14-16,19,26H2,1-2H3/b13-3-
InChIKeyALXIMGONGAJPMG-DXNYSGJVSA-N
MW363.61 g/mol
LogP7.29
Rot. Bonds15

About 6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine

6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine (PubChem CID 135225512) has the molecular formula C24H42FN and a molecular weight of 363.61 g/mol. Its IUPAC name is 6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine
PubChem CID135225512
Molecular FormulaC24H42FN
Molecular Weight363.61 g/mol
Exact Mass363.33
IUPAC Name6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine
SMILESC/C=C\C1C=C(CCCCCCN)C=CC1CCCCCCC(F)CC
InChIInChI=1S/C24H42FN/c1-3-13-23-20-21(14-9-7-8-12-19-26)17-18-22(23)15-10-5-6-11-16-24(25)4-2/h3,13,17-18,20,22-24H,4-12,14-16,19,26H2,1-2H3/b13-3-
InChIKeyALXIMGONGAJPMG-DXNYSGJVSA-N
XLogP7.29
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.61
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine?
The IUPAC name of 6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine (CID 135225512) is 6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine.
What is the SMILES notation for 6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine?
The canonical SMILES for 6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine is C/C=C\C1C=C(CCCCCCN)C=CC1CCCCCCC(F)CC.
What is the InChIKey of 6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine?
The InChIKey is ALXIMGONGAJPMG-DXNYSGJVSA-N. The full InChI is InChI=1S/C24H42FN/c1-3-13-23-20-21(14-9-7-8-12-19-26)17-18-22(23)15-10-5-6-11-16-24(25)4-2/h3,13,17-18,20,22-24H,4-12,14-16,19,26H2,1-2H3/b13-3-.
What are the key properties of 6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine?
6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine has a molecular weight of 363.61 g/mol, XLogP of 7.29, 15 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(7-fluorononyl)-3-[(Z)-prop-1-enyl]cyclohexa-1,5-dien-1-yl]hexan-1-amine is sourced from PubChem (CID 135225512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).