8-(1,8a-dihydronaphthalen-1-ylmethyl)-N-ethyl-6-fluorodeca-2,6-diene-1,10-diamine

C23H33FN2 — CID 72640803

IUPAC8-(1,8a-dihydronaphthalen-1-ylmethyl)-N-ethyl-6-fluorodeca-2,6-diene-1,10-diamine
SMILESCCNCC=CCCC(F)=CC(CCN)CC1C=CC=C2C=CC=CC21
InChIInChI=1S/C23H33FN2/c1-2-26-16-7-3-4-12-22(24)18-19(14-15-25)17-21-11-8-10-20-9-5-6-13-23(20)21/h3,5-11,13,18-19,21,23,26H,2,4,12,14-17,25H2,1H3
InChIKeyHWYFWRNYHBDZMN-UHFFFAOYSA-N
MW356.53 g/mol
LogP5.00
Rot. Bonds11

About 8-(1,8a-dihydronaphthalen-1-ylmethyl)-N-ethyl-6-fluorodeca-2,6-diene-1,10-diamine

8-(1,8a-dihydronaphthalen-1-ylmethyl)-N-ethyl-6-fluorodeca-2,6-diene-1,10-diamine (PubChem CID 72640803) has the molecular formula C23H33FN2 and a molecular weight of 356.53 g/mol. Its IUPAC name is 8-(1,8a-dihydronaphthalen-1-ylmethyl)-N-ethyl-6-fluorodeca-2,6-diene-1,10-diamine.

Molecular Properties

Compound Name8-(1,8a-dihydronaphthalen-1-ylmethyl)-N-ethyl-6-fluorodeca-2,6-diene-1,10-diamine
PubChem CID72640803
Molecular FormulaC23H33FN2
Molecular Weight356.53 g/mol
Exact Mass356.26
IUPAC Name8-(1,8a-dihydronaphthalen-1-ylmethyl)-N-ethyl-6-fluorodeca-2,6-diene-1,10-diamine
SMILESCCNCC=CCCC(F)=CC(CCN)CC1C=CC=C2C=CC=CC21
InChIInChI=1S/C23H33FN2/c1-2-26-16-7-3-4-12-22(24)18-19(14-15-25)17-21-11-8-10-20-9-5-6-13-23(20)21/h3,5-11,13,18-19,21,23,26H,2,4,12,14-17,25H2,1H3
InChIKeyHWYFWRNYHBDZMN-UHFFFAOYSA-N
XLogP5.00
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.53
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 8-(1,8a-dihydronaphthalen-1-ylmethyl)-N-ethyl-6-fluorodeca-2,6-diene-1,10-diamine?
The IUPAC name of 8-(1,8a-dihydronaphthalen-1-ylmethyl)-N-ethyl-6-fluorodeca-2,6-diene-1,10-diamine (CID 72640803) is 8-(1,8a-dihydronaphthalen-1-ylmethyl)-N-ethyl-6-fluorodeca-2,6-diene-1,10-diamine.
What is the SMILES notation for 8-(1,8a-dihydronaphthalen-1-ylmethyl)-N-ethyl-6-fluorodeca-2,6-diene-1,10-diamine?
The canonical SMILES for 8-(1,8a-dihydronaphthalen-1-ylmethyl)-N-ethyl-6-fluorodeca-2,6-diene-1,10-diamine is CCNCC=CCCC(F)=CC(CCN)CC1C=CC=C2C=CC=CC21.
What is the InChIKey of 8-(1,8a-dihydronaphthalen-1-ylmethyl)-N-ethyl-6-fluorodeca-2,6-diene-1,10-diamine?
The InChIKey is HWYFWRNYHBDZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33FN2/c1-2-26-16-7-3-4-12-22(24)18-19(14-15-25)17-21-11-8-10-20-9-5-6-13-23(20)21/h3,5-11,13,18-19,21,23,26H,2,4,12,14-17,25H2,1H3.
What are the key properties of 8-(1,8a-dihydronaphthalen-1-ylmethyl)-N-ethyl-6-fluorodeca-2,6-diene-1,10-diamine?
8-(1,8a-dihydronaphthalen-1-ylmethyl)-N-ethyl-6-fluorodeca-2,6-diene-1,10-diamine has a molecular weight of 356.53 g/mol, XLogP of 5.00, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,8a-dihydronaphthalen-1-ylmethyl)-N-ethyl-6-fluorodeca-2,6-diene-1,10-diamine is sourced from PubChem (CID 72640803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).