(2E,4E)-6-N-cyclohexyl-4-fluoro-6-N-methylhepta-2,4-diene-2,6-diamine

C14H25FN2 — CID 89209238

IUPAC(2E,4E)-6-N-cyclohexyl-4-fluoro-6-N-methylhepta-2,4-diene-2,6-diamine
SMILESC/C(N)=C\C(F)=C/C(C)N(C)C1CCCCC1
InChIInChI=1S/C14H25FN2/c1-11(16)9-13(15)10-12(2)17(3)14-7-5-4-6-8-14/h9-10,12,14H,4-8,16H2,1-3H3/b11-9+,13-10+
InChIKeySQCBDXGTVQADRF-HOJJKJLFSA-N
MW240.37 g/mol
LogP3.36
Rot. Bonds4

About (2E,4E)-6-N-cyclohexyl-4-fluoro-6-N-methylhepta-2,4-diene-2,6-diamine

(2E,4E)-6-N-cyclohexyl-4-fluoro-6-N-methylhepta-2,4-diene-2,6-diamine (PubChem CID 89209238) has the molecular formula C14H25FN2 and a molecular weight of 240.37 g/mol. Its IUPAC name is (2E,4E)-6-N-cyclohexyl-4-fluoro-6-N-methylhepta-2,4-diene-2,6-diamine.

Molecular Properties

Compound Name(2E,4E)-6-N-cyclohexyl-4-fluoro-6-N-methylhepta-2,4-diene-2,6-diamine
PubChem CID89209238
Molecular FormulaC14H25FN2
Molecular Weight240.37 g/mol
Exact Mass240.20
IUPAC Name(2E,4E)-6-N-cyclohexyl-4-fluoro-6-N-methylhepta-2,4-diene-2,6-diamine
SMILESC/C(N)=C\C(F)=C/C(C)N(C)C1CCCCC1
InChIInChI=1S/C14H25FN2/c1-11(16)9-13(15)10-12(2)17(3)14-7-5-4-6-8-14/h9-10,12,14H,4-8,16H2,1-3H3/b11-9+,13-10+
InChIKeySQCBDXGTVQADRF-HOJJKJLFSA-N
XLogP3.36
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-6-N-cyclohexyl-4-fluoro-6-N-methylhepta-2,4-diene-2,6-diamine?
The IUPAC name of (2E,4E)-6-N-cyclohexyl-4-fluoro-6-N-methylhepta-2,4-diene-2,6-diamine (CID 89209238) is (2E,4E)-6-N-cyclohexyl-4-fluoro-6-N-methylhepta-2,4-diene-2,6-diamine.
What is the SMILES notation for (2E,4E)-6-N-cyclohexyl-4-fluoro-6-N-methylhepta-2,4-diene-2,6-diamine?
The canonical SMILES for (2E,4E)-6-N-cyclohexyl-4-fluoro-6-N-methylhepta-2,4-diene-2,6-diamine is C/C(N)=C\C(F)=C/C(C)N(C)C1CCCCC1.
What is the InChIKey of (2E,4E)-6-N-cyclohexyl-4-fluoro-6-N-methylhepta-2,4-diene-2,6-diamine?
The InChIKey is SQCBDXGTVQADRF-HOJJKJLFSA-N. The full InChI is InChI=1S/C14H25FN2/c1-11(16)9-13(15)10-12(2)17(3)14-7-5-4-6-8-14/h9-10,12,14H,4-8,16H2,1-3H3/b11-9+,13-10+.
What are the key properties of (2E,4E)-6-N-cyclohexyl-4-fluoro-6-N-methylhepta-2,4-diene-2,6-diamine?
(2E,4E)-6-N-cyclohexyl-4-fluoro-6-N-methylhepta-2,4-diene-2,6-diamine has a molecular weight of 240.37 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-6-N-cyclohexyl-4-fluoro-6-N-methylhepta-2,4-diene-2,6-diamine is sourced from PubChem (CID 89209238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).