(E)-6-fluoro-5-methyl-N-propylhex-4-en-2-amine

C10H20FN — CID 166922368

IUPAC(E)-6-fluoro-5-methyl-N-propylhex-4-en-2-amine
SMILESCCCNC(C)C/C=C(\C)CF
InChIInChI=1S/C10H20FN/c1-4-7-12-10(3)6-5-9(2)8-11/h5,10,12H,4,6-8H2,1-3H3/b9-5+
InChIKeyNZIXKBSDMFBUQA-WEVVVXLNSA-N
MW173.27 g/mol
LogP2.68
Rot. Bonds6

About (E)-6-fluoro-5-methyl-N-propylhex-4-en-2-amine

(E)-6-fluoro-5-methyl-N-propylhex-4-en-2-amine (PubChem CID 166922368) has the molecular formula C10H20FN and a molecular weight of 173.27 g/mol. Its IUPAC name is (E)-6-fluoro-5-methyl-N-propylhex-4-en-2-amine.

Molecular Properties

Compound Name(E)-6-fluoro-5-methyl-N-propylhex-4-en-2-amine
PubChem CID166922368
Molecular FormulaC10H20FN
Molecular Weight173.27 g/mol
Exact Mass173.16
IUPAC Name(E)-6-fluoro-5-methyl-N-propylhex-4-en-2-amine
SMILESCCCNC(C)C/C=C(\C)CF
InChIInChI=1S/C10H20FN/c1-4-7-12-10(3)6-5-9(2)8-11/h5,10,12H,4,6-8H2,1-3H3/b9-5+
InChIKeyNZIXKBSDMFBUQA-WEVVVXLNSA-N
XLogP2.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.27
LogP ≤ 52.68
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
N-[(2E)-3,7-dimethylocta-2,6-dienyl]cyclopropanamine
CID 141815373
Isometheptene-mucate
CID 6604597
6-Methyl-N-(prop-2-en-1-yl)hept-5-en-2-amine
CID 20850
N-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]cyclopropanamine
CID 164609141
6-Methyl-2-propylamino-5-heptene
CID 12541942
Pyridine, 3-ethyl-1,2,5,6-tetrahydro-6-methyl-
CID 23423764
N,5-dimethylhex-4-en-2-amine
CID 123421000
Methyl(6-methylhept-5-en-2-yl)azanium chloride
CID 53447279
4-fluoro-N,2-dimethylcyclohexa-2,4-dien-1-amine
CID 68241956

Frequently Asked Questions

What is the IUPAC name of (E)-6-fluoro-5-methyl-N-propylhex-4-en-2-amine?
The IUPAC name of (E)-6-fluoro-5-methyl-N-propylhex-4-en-2-amine (CID 166922368) is (E)-6-fluoro-5-methyl-N-propylhex-4-en-2-amine.
What is the SMILES notation for (E)-6-fluoro-5-methyl-N-propylhex-4-en-2-amine?
The canonical SMILES for (E)-6-fluoro-5-methyl-N-propylhex-4-en-2-amine is CCCNC(C)C/C=C(\C)CF.
What is the InChIKey of (E)-6-fluoro-5-methyl-N-propylhex-4-en-2-amine?
The InChIKey is NZIXKBSDMFBUQA-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H20FN/c1-4-7-12-10(3)6-5-9(2)8-11/h5,10,12H,4,6-8H2,1-3H3/b9-5+.
What are the key properties of (E)-6-fluoro-5-methyl-N-propylhex-4-en-2-amine?
(E)-6-fluoro-5-methyl-N-propylhex-4-en-2-amine has a molecular weight of 173.27 g/mol, XLogP of 2.68, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-fluoro-5-methyl-N-propylhex-4-en-2-amine is sourced from PubChem (CID 166922368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).