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

C19H38FNO — CID 144985063

IUPACethane;N-(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.CC
InChIInChI=1S/C17H32FNO.C2H6/c1-7-8-11-17(5,6)20-14-12-16(3,4)10-9-13-19-15(2)18;1-2/h7,19H,1-2,8-14H2,3-6H3;1-2H3
InChIKeyOWFBZMUHBYJWSV-UHFFFAOYSA-N
MW315.52 g/mol
LogP6.00
Rot. Bonds12

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

ethane;N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine (PubChem CID 144985063) has the molecular formula C19H38FNO and a molecular weight of 315.52 g/mol. Its IUPAC name is ethane;N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine.

Molecular Properties

Compound Nameethane;N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine
PubChem CID144985063
Molecular FormulaC19H38FNO
Molecular Weight315.52 g/mol
Exact Mass315.29
IUPAC Nameethane;N-(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.CC
InChIInChI=1S/C17H32FNO.C2H6/c1-7-8-11-17(5,6)20-14-12-16(3,4)10-9-13-19-15(2)18;1-2/h7,19H,1-2,8-14H2,3-6H3;1-2H3
InChIKeyOWFBZMUHBYJWSV-UHFFFAOYSA-N
XLogP6.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.52
LogP ≤ 56.00
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 ethane;N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine?
The IUPAC name of ethane;N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine (CID 144985063) is ethane;N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine.
What is the SMILES notation for ethane;N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine?
The canonical SMILES for ethane;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.CC.
What is the InChIKey of ethane;N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine?
The InChIKey is OWFBZMUHBYJWSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32FNO.C2H6/c1-7-8-11-17(5,6)20-14-12-16(3,4)10-9-13-19-15(2)18;1-2/h7,19H,1-2,8-14H2,3-6H3;1-2H3.
What are the key properties of ethane;N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine?
ethane;N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine has a molecular weight of 315.52 g/mol, XLogP of 6.00, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(1-fluoroethenyl)-4,4-dimethyl-6-(2-methylhex-5-en-2-yloxy)hexan-1-amine is sourced from PubChem (CID 144985063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).