(3S)-6-fluoro-N,2-dimethylhex-1-en-3-amine

C8H16FN — CID 143062399

IUPAC(3S)-6-fluoro-N,2-dimethylhex-1-en-3-amine
SMILESC=C(C)[C@H](CCCF)NC
InChIInChI=1S/C8H16FN/c1-7(2)8(10-3)5-4-6-9/h8,10H,1,4-6H2,2-3H3/t8-/m0/s1
InChIKeyALQHOUCWQQADSQ-QMMMGPOBSA-N
MW145.22 g/mol
LogP1.90
Rot. Bonds5

About (3S)-6-fluoro-N,2-dimethylhex-1-en-3-amine

(3S)-6-fluoro-N,2-dimethylhex-1-en-3-amine (PubChem CID 143062399) has the molecular formula C8H16FN and a molecular weight of 145.22 g/mol. Its IUPAC name is (3S)-6-fluoro-N,2-dimethylhex-1-en-3-amine.

Molecular Properties

Compound Name(3S)-6-fluoro-N,2-dimethylhex-1-en-3-amine
PubChem CID143062399
Molecular FormulaC8H16FN
Molecular Weight145.22 g/mol
Exact Mass145.13
IUPAC Name(3S)-6-fluoro-N,2-dimethylhex-1-en-3-amine
SMILESC=C(C)[C@H](CCCF)NC
InChIInChI=1S/C8H16FN/c1-7(2)8(10-3)5-4-6-9/h8,10H,1,4-6H2,2-3H3/t8-/m0/s1
InChIKeyALQHOUCWQQADSQ-QMMMGPOBSA-N
XLogP1.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.22
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-6-fluoro-N,2-dimethylhex-1-en-3-amine?
The IUPAC name of (3S)-6-fluoro-N,2-dimethylhex-1-en-3-amine (CID 143062399) is (3S)-6-fluoro-N,2-dimethylhex-1-en-3-amine.
What is the SMILES notation for (3S)-6-fluoro-N,2-dimethylhex-1-en-3-amine?
The canonical SMILES for (3S)-6-fluoro-N,2-dimethylhex-1-en-3-amine is C=C(C)[C@H](CCCF)NC.
What is the InChIKey of (3S)-6-fluoro-N,2-dimethylhex-1-en-3-amine?
The InChIKey is ALQHOUCWQQADSQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C8H16FN/c1-7(2)8(10-3)5-4-6-9/h8,10H,1,4-6H2,2-3H3/t8-/m0/s1.
What are the key properties of (3S)-6-fluoro-N,2-dimethylhex-1-en-3-amine?
(3S)-6-fluoro-N,2-dimethylhex-1-en-3-amine has a molecular weight of 145.22 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-fluoro-N,2-dimethylhex-1-en-3-amine is sourced from PubChem (CID 143062399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).