N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine

C17H32FNO — CID 144985064

IUPACN-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine
SMILESC=CCCC(C)(C)OCCC(C)(C)CCCNC(=C)F
InChIInChI=1S/C17H32FNO/c1-7-8-11-17(5,6)20-14-12-16(3,4)10-9-13-19-15(2)18/h7,19H,1-2,8-14H2,3-6H3
InChIKeyXKQSJQVGDMCCFJ-UHFFFAOYSA-N
MW285.45 g/mol
LogP4.97
Rot. Bonds12

About N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine

N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine (PubChem CID 144985064) has the molecular formula C17H32FNO and a molecular weight of 285.45 g/mol. Its IUPAC name is N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine.

Molecular Properties

Compound NameN-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine
PubChem CID144985064
Molecular FormulaC17H32FNO
Molecular Weight285.45 g/mol
Exact Mass285.25
IUPAC NameN-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine
SMILESC=CCCC(C)(C)OCCC(C)(C)CCCNC(=C)F
InChIInChI=1S/C17H32FNO/c1-7-8-11-17(5,6)20-14-12-16(3,4)10-9-13-19-15(2)18/h7,19H,1-2,8-14H2,3-6H3
InChIKeyXKQSJQVGDMCCFJ-UHFFFAOYSA-N
XLogP4.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine?
The IUPAC name of N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine (CID 144985064) is N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine.
What is the SMILES notation for N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine?
The canonical SMILES for N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine is C=CCCC(C)(C)OCCC(C)(C)CCCNC(=C)F.
What is the InChIKey of N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine?
The InChIKey is XKQSJQVGDMCCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FNO/c1-7-8-11-17(5,6)20-14-12-16(3,4)10-9-13-19-15(2)18/h7,19H,1-2,8-14H2,3-6H3.
What are the key properties of N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine?
N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine has a molecular weight of 285.45 g/mol, XLogP of 4.97, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine is sourced from PubChem (CID 144985064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).