(E)-2-fluoro-N,5-dimethylhept-5-en-3-amine

C9H18FN — CID 163676181

IUPAC(E)-2-fluoro-N,5-dimethylhept-5-en-3-amine
SMILESC/C=C(\C)CC(NC)C(C)F
InChIInChI=1S/C9H18FN/c1-5-7(2)6-9(11-4)8(3)10/h5,8-9,11H,6H2,1-4H3/b7-5+
InChIKeyJGXHMHZSKDXKNO-FNORWQNLSA-N
MW159.25 g/mol
LogP2.29
Rot. Bonds4

About (E)-2-fluoro-N,5-dimethylhept-5-en-3-amine

(E)-2-fluoro-N,5-dimethylhept-5-en-3-amine (PubChem CID 163676181) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (E)-2-fluoro-N,5-dimethylhept-5-en-3-amine.

Molecular Properties

Compound Name(E)-2-fluoro-N,5-dimethylhept-5-en-3-amine
PubChem CID163676181
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(E)-2-fluoro-N,5-dimethylhept-5-en-3-amine
SMILESC/C=C(\C)CC(NC)C(C)F
InChIInChI=1S/C9H18FN/c1-5-7(2)6-9(11-4)8(3)10/h5,8-9,11H,6H2,1-4H3/b7-5+
InChIKeyJGXHMHZSKDXKNO-FNORWQNLSA-N
XLogP2.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Isometheptene
CID 22297
Isometheptene Hydrochloride
CID 22549
Dexisometheptene
CID 24871315
(2S,6S)-2,6-diallyl-4-methyl-1,2,3,6-tetrahydropyridinium
CID 16193239
2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2859356
Isometheptene-mucate
CID 6604597
1-(Cyclohexa-1,4-dien-1-yl)-N-methylpropan-2-amine
CID 57487843
(2S,6S)-2,6-Diallyl-4-methyl-1,2,3,6-tetrahydropyridine
CID 2063692
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
4-Hexenylamine, N,1,2,5-tetramethyl-
CID 49627
4-Hexenylamine, N,1-dimethyl-
CID 6435019
R-Azabisabolene
CID 5289266

Frequently Asked Questions

What is the IUPAC name of (E)-2-fluoro-N,5-dimethylhept-5-en-3-amine?
The IUPAC name of (E)-2-fluoro-N,5-dimethylhept-5-en-3-amine (CID 163676181) is (E)-2-fluoro-N,5-dimethylhept-5-en-3-amine.
What is the SMILES notation for (E)-2-fluoro-N,5-dimethylhept-5-en-3-amine?
The canonical SMILES for (E)-2-fluoro-N,5-dimethylhept-5-en-3-amine is C/C=C(\C)CC(NC)C(C)F.
What is the InChIKey of (E)-2-fluoro-N,5-dimethylhept-5-en-3-amine?
The InChIKey is JGXHMHZSKDXKNO-FNORWQNLSA-N. The full InChI is InChI=1S/C9H18FN/c1-5-7(2)6-9(11-4)8(3)10/h5,8-9,11H,6H2,1-4H3/b7-5+.
What are the key properties of (E)-2-fluoro-N,5-dimethylhept-5-en-3-amine?
(E)-2-fluoro-N,5-dimethylhept-5-en-3-amine has a molecular weight of 159.25 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-fluoro-N,5-dimethylhept-5-en-3-amine is sourced from PubChem (CID 163676181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).