(E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine

C16H32FN — CID 139323765

IUPAC(E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine
SMILESCCC(C)(C)CC(C)NCCC(C)(C)/C=C(\C)F
InChIInChI=1S/C16H32FN/c1-8-15(4,5)12-14(3)18-10-9-16(6,7)11-13(2)17/h11,14,18H,8-10,12H2,1-7H3/b13-11+
InChIKeyOLQZFTSLAPPYLP-ACCUITESSA-N
MW257.44 g/mol
LogP5.08
Rot. Bonds8

About (E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine

(E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine (PubChem CID 139323765) has the molecular formula C16H32FN and a molecular weight of 257.44 g/mol. Its IUPAC name is (E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine.

Molecular Properties

Compound Name(E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine
PubChem CID139323765
Molecular FormulaC16H32FN
Molecular Weight257.44 g/mol
Exact Mass257.25
IUPAC Name(E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine
SMILESCCC(C)(C)CC(C)NCCC(C)(C)/C=C(\C)F
InChIInChI=1S/C16H32FN/c1-8-15(4,5)12-14(3)18-10-9-16(6,7)11-13(2)17/h11,14,18H,8-10,12H2,1-7H3/b13-11+
InChIKeyOLQZFTSLAPPYLP-ACCUITESSA-N
XLogP5.08
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500257.44
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine?
The IUPAC name of (E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine (CID 139323765) is (E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine.
What is the SMILES notation for (E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine?
The canonical SMILES for (E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine is CCC(C)(C)CC(C)NCCC(C)(C)/C=C(\C)F.
What is the InChIKey of (E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine?
The InChIKey is OLQZFTSLAPPYLP-ACCUITESSA-N. The full InChI is InChI=1S/C16H32FN/c1-8-15(4,5)12-14(3)18-10-9-16(6,7)11-13(2)17/h11,14,18H,8-10,12H2,1-7H3/b13-11+.
What are the key properties of (E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine?
(E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine has a molecular weight of 257.44 g/mol, XLogP of 5.08, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4,4-dimethylhexan-2-yl)-5-fluoro-3,3-dimethylhex-4-en-1-amine is sourced from PubChem (CID 139323765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).