2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine

C20H38FN — CID 174252655

IUPAC2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine
SMILESC=C(CCCCCCC(C)C(F)CNC(=C)C(C)C)C(C)C
InChIInChI=1S/C20H38FN/c1-15(2)17(5)12-10-8-9-11-13-18(6)20(21)14-22-19(7)16(3)4/h15-16,18,20,22H,5,7-14H2,1-4,6H3
InChIKeySAEZBUAGJIQWOK-UHFFFAOYSA-N
MW311.53 g/mol
LogP6.27
Rot. Bonds13

About 2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine

2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine (PubChem CID 174252655) has the molecular formula C20H38FN and a molecular weight of 311.53 g/mol. Its IUPAC name is 2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine.

Molecular Properties

Compound Name2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine
PubChem CID174252655
Molecular FormulaC20H38FN
Molecular Weight311.53 g/mol
Exact Mass311.30
IUPAC Name2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine
SMILESC=C(CCCCCCC(C)C(F)CNC(=C)C(C)C)C(C)C
InChIInChI=1S/C20H38FN/c1-15(2)17(5)12-10-8-9-11-13-18(6)20(21)14-22-19(7)16(3)4/h15-16,18,20,22H,5,7-14H2,1-4,6H3
InChIKeySAEZBUAGJIQWOK-UHFFFAOYSA-N
XLogP6.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.53
LogP ≤ 56.27
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 2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine?
The IUPAC name of 2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine (CID 174252655) is 2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine.
What is the SMILES notation for 2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine?
The canonical SMILES for 2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine is C=C(CCCCCCC(C)C(F)CNC(=C)C(C)C)C(C)C.
What is the InChIKey of 2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine?
The InChIKey is SAEZBUAGJIQWOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38FN/c1-15(2)17(5)12-10-8-9-11-13-18(6)20(21)14-22-19(7)16(3)4/h15-16,18,20,22H,5,7-14H2,1-4,6H3.
What are the key properties of 2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine?
2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine has a molecular weight of 311.53 g/mol, XLogP of 6.27, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3,11-dimethyl-N-(3-methylbut-1-en-2-yl)-10-methylidenedodecan-1-amine is sourced from PubChem (CID 174252655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).