(Z)-7-fluoro-1-N',5-dimethyloct-4-ene-1,1-diamine

C10H21FN2 — CID 138567970

IUPAC(Z)-7-fluoro-1-N',5-dimethyloct-4-ene-1,1-diamine
SMILESCNC(N)CC/C=C(/C)CC(C)F
InChIInChI=1S/C10H21FN2/c1-8(7-9(2)11)5-4-6-10(12)13-3/h5,9-10,13H,4,6-7,12H2,1-3H3/b8-5-
InChIKeyVRFAEYIVCWCKOX-YVMONPNESA-N
MW188.29 g/mol
LogP1.97
Rot. Bonds6

About (Z)-7-fluoro-1-N',5-dimethyloct-4-ene-1,1-diamine

(Z)-7-fluoro-1-N',5-dimethyloct-4-ene-1,1-diamine (PubChem CID 138567970) has the molecular formula C10H21FN2 and a molecular weight of 188.29 g/mol. Its IUPAC name is (Z)-7-fluoro-1-N',5-dimethyloct-4-ene-1,1-diamine.

Molecular Properties

Compound Name(Z)-7-fluoro-1-N',5-dimethyloct-4-ene-1,1-diamine
PubChem CID138567970
Molecular FormulaC10H21FN2
Molecular Weight188.29 g/mol
Exact Mass188.17
IUPAC Name(Z)-7-fluoro-1-N',5-dimethyloct-4-ene-1,1-diamine
SMILESCNC(N)CC/C=C(/C)CC(C)F
InChIInChI=1S/C10H21FN2/c1-8(7-9(2)11)5-4-6-10(12)13-3/h5,9-10,13H,4,6-7,12H2,1-3H3/b8-5-
InChIKeyVRFAEYIVCWCKOX-YVMONPNESA-N
XLogP1.97
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-7-fluoro-1-N',5-dimethyloct-4-ene-1,1-diamine?
The IUPAC name of (Z)-7-fluoro-1-N',5-dimethyloct-4-ene-1,1-diamine (CID 138567970) is (Z)-7-fluoro-1-N',5-dimethyloct-4-ene-1,1-diamine.
What is the SMILES notation for (Z)-7-fluoro-1-N',5-dimethyloct-4-ene-1,1-diamine?
The canonical SMILES for (Z)-7-fluoro-1-N',5-dimethyloct-4-ene-1,1-diamine is CNC(N)CC/C=C(/C)CC(C)F.
What is the InChIKey of (Z)-7-fluoro-1-N',5-dimethyloct-4-ene-1,1-diamine?
The InChIKey is VRFAEYIVCWCKOX-YVMONPNESA-N. The full InChI is InChI=1S/C10H21FN2/c1-8(7-9(2)11)5-4-6-10(12)13-3/h5,9-10,13H,4,6-7,12H2,1-3H3/b8-5-.
What are the key properties of (Z)-7-fluoro-1-N',5-dimethyloct-4-ene-1,1-diamine?
(Z)-7-fluoro-1-N',5-dimethyloct-4-ene-1,1-diamine has a molecular weight of 188.29 g/mol, XLogP of 1.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-7-fluoro-1-N',5-dimethyloct-4-ene-1,1-diamine is sourced from PubChem (CID 138567970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).