(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine

C14H26FN — CID 134365675

IUPAC(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine
SMILESC=C(/C=C\[C@@H](F)CC)C(C)CCN(C)CC
InChIInChI=1S/C14H26FN/c1-6-14(15)9-8-12(3)13(4)10-11-16(5)7-2/h8-9,13-14H,3,6-7,10-11H2,1-2,4-5H3/b9-8-/t13?,14-/m0/s1
InChIKeyXZQLWWDVKCUSIJ-BITNCPOMSA-N
MW227.37 g/mol
LogP3.82
Rot. Bonds8

About (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine

(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine (PubChem CID 134365675) has the molecular formula C14H26FN and a molecular weight of 227.37 g/mol. Its IUPAC name is (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine.

Molecular Properties

Compound Name(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine
PubChem CID134365675
Molecular FormulaC14H26FN
Molecular Weight227.37 g/mol
Exact Mass227.20
IUPAC Name(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine
SMILESC=C(/C=C\[C@@H](F)CC)C(C)CCN(C)CC
InChIInChI=1S/C14H26FN/c1-6-14(15)9-8-12(3)13(4)10-11-16(5)7-2/h8-9,13-14H,3,6-7,10-11H2,1-2,4-5H3/b9-8-/t13?,14-/m0/s1
InChIKeyXZQLWWDVKCUSIJ-BITNCPOMSA-N
XLogP3.82
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.37
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine?
The IUPAC name of (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine (CID 134365675) is (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine.
What is the SMILES notation for (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine?
The canonical SMILES for (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine is C=C(/C=C\[C@@H](F)CC)C(C)CCN(C)CC.
What is the InChIKey of (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine?
The InChIKey is XZQLWWDVKCUSIJ-BITNCPOMSA-N. The full InChI is InChI=1S/C14H26FN/c1-6-14(15)9-8-12(3)13(4)10-11-16(5)7-2/h8-9,13-14H,3,6-7,10-11H2,1-2,4-5H3/b9-8-/t13?,14-/m0/s1.
What are the key properties of (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine?
(Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine has a molecular weight of 227.37 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,7S)-N-ethyl-7-fluoro-N,3-dimethyl-4-methylidenenon-5-en-1-amine is sourced from PubChem (CID 134365675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).