N-(5-fluoro-4-methyl-3-methylidenepentan-2-yl)-3,3,4,5-tetramethylhept-6-en-1-amine

C18H34FN — CID 123919134

IUPACN-(5-fluoro-4-methyl-3-methylidenepentan-2-yl)-3,3,4,5-tetramethylhept-6-en-1-amine
SMILESC=CC(C)C(C)C(C)(C)CCNC(C)C(=C)C(C)CF
InChIInChI=1S/C18H34FN/c1-9-13(2)16(5)18(7,8)10-11-20-17(6)15(4)14(3)12-19/h9,13-14,16-17,20H,1,4,10-12H2,2-3,5-8H3
InChIKeyJBUHVIGHPMVXRX-UHFFFAOYSA-N
MW283.48 g/mol
LogP5.00
Rot. Bonds10

About N-(5-fluoro-4-methyl-3-methylidenepentan-2-yl)-3,3,4,5-tetramethylhept-6-en-1-amine

N-(5-fluoro-4-methyl-3-methylidenepentan-2-yl)-3,3,4,5-tetramethylhept-6-en-1-amine (PubChem CID 123919134) has the molecular formula C18H34FN and a molecular weight of 283.48 g/mol. Its IUPAC name is N-(5-fluoro-4-methyl-3-methylidenepentan-2-yl)-3,3,4,5-tetramethylhept-6-en-1-amine.

Molecular Properties

Compound NameN-(5-fluoro-4-methyl-3-methylidenepentan-2-yl)-3,3,4,5-tetramethylhept-6-en-1-amine
PubChem CID123919134
Molecular FormulaC18H34FN
Molecular Weight283.48 g/mol
Exact Mass283.27
IUPAC NameN-(5-fluoro-4-methyl-3-methylidenepentan-2-yl)-3,3,4,5-tetramethylhept-6-en-1-amine
SMILESC=CC(C)C(C)C(C)(C)CCNC(C)C(=C)C(C)CF
InChIInChI=1S/C18H34FN/c1-9-13(2)16(5)18(7,8)10-11-20-17(6)15(4)14(3)12-19/h9,13-14,16-17,20H,1,4,10-12H2,2-3,5-8H3
InChIKeyJBUHVIGHPMVXRX-UHFFFAOYSA-N
XLogP5.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
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 N-(5-fluoro-4-methyl-3-methylidenepentan-2-yl)-3,3,4,5-tetramethylhept-6-en-1-amine?
The IUPAC name of N-(5-fluoro-4-methyl-3-methylidenepentan-2-yl)-3,3,4,5-tetramethylhept-6-en-1-amine (CID 123919134) is N-(5-fluoro-4-methyl-3-methylidenepentan-2-yl)-3,3,4,5-tetramethylhept-6-en-1-amine.
What is the SMILES notation for N-(5-fluoro-4-methyl-3-methylidenepentan-2-yl)-3,3,4,5-tetramethylhept-6-en-1-amine?
The canonical SMILES for N-(5-fluoro-4-methyl-3-methylidenepentan-2-yl)-3,3,4,5-tetramethylhept-6-en-1-amine is C=CC(C)C(C)C(C)(C)CCNC(C)C(=C)C(C)CF.
What is the InChIKey of N-(5-fluoro-4-methyl-3-methylidenepentan-2-yl)-3,3,4,5-tetramethylhept-6-en-1-amine?
The InChIKey is JBUHVIGHPMVXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34FN/c1-9-13(2)16(5)18(7,8)10-11-20-17(6)15(4)14(3)12-19/h9,13-14,16-17,20H,1,4,10-12H2,2-3,5-8H3.
What are the key properties of N-(5-fluoro-4-methyl-3-methylidenepentan-2-yl)-3,3,4,5-tetramethylhept-6-en-1-amine?
N-(5-fluoro-4-methyl-3-methylidenepentan-2-yl)-3,3,4,5-tetramethylhept-6-en-1-amine has a molecular weight of 283.48 g/mol, XLogP of 5.00, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-4-methyl-3-methylidenepentan-2-yl)-3,3,4,5-tetramethylhept-6-en-1-amine is sourced from PubChem (CID 123919134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).