(Z)-6-fluoro-2,2-dimethylhept-5-en-3-amine

C9H18FN — CID 155247478

IUPAC(Z)-6-fluoro-2,2-dimethylhept-5-en-3-amine
SMILESC/C(F)=C/CC(N)C(C)(C)C
InChIInChI=1S/C9H18FN/c1-7(10)5-6-8(11)9(2,3)4/h5,8H,6,11H2,1-4H3/b7-5-
InChIKeyPREMDIXAMPJHCD-ALCCZGGFSA-N
MW159.25 g/mol
LogP2.62
Rot. Bonds2

About (Z)-6-fluoro-2,2-dimethylhept-5-en-3-amine

(Z)-6-fluoro-2,2-dimethylhept-5-en-3-amine (PubChem CID 155247478) has the molecular formula C9H18FN and a molecular weight of 159.25 g/mol. Its IUPAC name is (Z)-6-fluoro-2,2-dimethylhept-5-en-3-amine.

Molecular Properties

Compound Name(Z)-6-fluoro-2,2-dimethylhept-5-en-3-amine
PubChem CID155247478
Molecular FormulaC9H18FN
Molecular Weight159.25 g/mol
Exact Mass159.14
IUPAC Name(Z)-6-fluoro-2,2-dimethylhept-5-en-3-amine
SMILESC/C(F)=C/CC(N)C(C)(C)C
InChIInChI=1S/C9H18FN/c1-7(10)5-6-8(11)9(2,3)4/h5,8H,6,11H2,1-4H3/b7-5-
InChIKeyPREMDIXAMPJHCD-ALCCZGGFSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.25
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-6-fluoro-2,2-dimethylhept-5-en-3-amine?
The IUPAC name of (Z)-6-fluoro-2,2-dimethylhept-5-en-3-amine (CID 155247478) is (Z)-6-fluoro-2,2-dimethylhept-5-en-3-amine.
What is the SMILES notation for (Z)-6-fluoro-2,2-dimethylhept-5-en-3-amine?
The canonical SMILES for (Z)-6-fluoro-2,2-dimethylhept-5-en-3-amine is C/C(F)=C/CC(N)C(C)(C)C.
What is the InChIKey of (Z)-6-fluoro-2,2-dimethylhept-5-en-3-amine?
The InChIKey is PREMDIXAMPJHCD-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H18FN/c1-7(10)5-6-8(11)9(2,3)4/h5,8H,6,11H2,1-4H3/b7-5-.
What are the key properties of (Z)-6-fluoro-2,2-dimethylhept-5-en-3-amine?
(Z)-6-fluoro-2,2-dimethylhept-5-en-3-amine has a molecular weight of 159.25 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-6-fluoro-2,2-dimethylhept-5-en-3-amine is sourced from PubChem (CID 155247478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).