6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine

C18H34FN — CID 155274657

IUPAC6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine
SMILESC=C(CC)CN(C)C(=C)C(C)CCC(C)(F)CCCC
InChIInChI=1S/C18H34FN/c1-8-10-12-18(6,19)13-11-16(4)17(5)20(7)14-15(3)9-2/h16H,3,5,8-14H2,1-2,4,6-7H3
InChIKeyGMLFAOCIRCFKHQ-UHFFFAOYSA-N
MW283.47 g/mol
LogP5.73
Rot. Bonds11

About 6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine

6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine (PubChem CID 155274657) has the molecular formula C18H34FN and a molecular weight of 283.47 g/mol. Its IUPAC name is 6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine.

Molecular Properties

Compound Name6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine
PubChem CID155274657
Molecular FormulaC18H34FN
Molecular Weight283.47 g/mol
Exact Mass283.27
IUPAC Name6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine
SMILESC=C(CC)CN(C)C(=C)C(C)CCC(C)(F)CCCC
InChIInChI=1S/C18H34FN/c1-8-10-12-18(6,19)13-11-16(4)17(5)20(7)14-15(3)9-2/h16H,3,5,8-14H2,1-2,4,6-7H3
InChIKeyGMLFAOCIRCFKHQ-UHFFFAOYSA-N
XLogP5.73
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.47
LogP ≤ 55.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine?
The IUPAC name of 6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine (CID 155274657) is 6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine.
What is the SMILES notation for 6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine?
The canonical SMILES for 6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine is C=C(CC)CN(C)C(=C)C(C)CCC(C)(F)CCCC.
What is the InChIKey of 6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine?
The InChIKey is GMLFAOCIRCFKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34FN/c1-8-10-12-18(6,19)13-11-16(4)17(5)20(7)14-15(3)9-2/h16H,3,5,8-14H2,1-2,4,6-7H3.
What are the key properties of 6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine?
6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine has a molecular weight of 283.47 g/mol, XLogP of 5.73, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N,3,6-trimethyl-N-(2-methylidenebutyl)dec-1-en-2-amine is sourced from PubChem (CID 155274657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).