5-[(2Z,5Z,7E)-8-fluoro-3-methyl-10-methylidene-4,9-dihydrodiazecin-1-yl]-N-methylhex-1-en-2-amine

C17H26FN3 — CID 174346030

IUPAC5-[(2Z,5Z,7E)-8-fluoro-3-methyl-10-methylidene-4,9-dihydrodiazecin-1-yl]-N-methylhex-1-en-2-amine
SMILESC=C(CCC(C)N1/N=C(/C)C/C=C\C=C(\F)CC1=C)NC
InChIInChI=1S/C17H26FN3/c1-13(19-5)10-11-15(3)21-16(4)12-17(18)9-7-6-8-14(2)20-21/h6-7,9,15,19H,1,4,8,10-12H2,2-3,5H3/b7-6-,17-9+,20-14-
InChIKeyCNCPSJYJYWYAEI-IHIJSIEZSA-N
MW291.41 g/mol
LogP4.28
Rot. Bonds5

About 5-[(2Z,5Z,7E)-8-fluoro-3-methyl-10-methylidene-4,9-dihydrodiazecin-1-yl]-N-methylhex-1-en-2-amine

5-[(2Z,5Z,7E)-8-fluoro-3-methyl-10-methylidene-4,9-dihydrodiazecin-1-yl]-N-methylhex-1-en-2-amine (PubChem CID 174346030) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is 5-[(2Z,5Z,7E)-8-fluoro-3-methyl-10-methylidene-4,9-dihydrodiazecin-1-yl]-N-methylhex-1-en-2-amine.

Molecular Properties

Compound Name5-[(2Z,5Z,7E)-8-fluoro-3-methyl-10-methylidene-4,9-dihydrodiazecin-1-yl]-N-methylhex-1-en-2-amine
PubChem CID174346030
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Name5-[(2Z,5Z,7E)-8-fluoro-3-methyl-10-methylidene-4,9-dihydrodiazecin-1-yl]-N-methylhex-1-en-2-amine
SMILESC=C(CCC(C)N1/N=C(/C)C/C=C\C=C(\F)CC1=C)NC
InChIInChI=1S/C17H26FN3/c1-13(19-5)10-11-15(3)21-16(4)12-17(18)9-7-6-8-14(2)20-21/h6-7,9,15,19H,1,4,8,10-12H2,2-3,5H3/b7-6-,17-9+,20-14-
InChIKeyCNCPSJYJYWYAEI-IHIJSIEZSA-N
XLogP4.28
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2Z,5Z,7E)-8-fluoro-3-methyl-10-methylidene-4,9-dihydrodiazecin-1-yl]-N-methylhex-1-en-2-amine?
The IUPAC name of 5-[(2Z,5Z,7E)-8-fluoro-3-methyl-10-methylidene-4,9-dihydrodiazecin-1-yl]-N-methylhex-1-en-2-amine (CID 174346030) is 5-[(2Z,5Z,7E)-8-fluoro-3-methyl-10-methylidene-4,9-dihydrodiazecin-1-yl]-N-methylhex-1-en-2-amine.
What is the SMILES notation for 5-[(2Z,5Z,7E)-8-fluoro-3-methyl-10-methylidene-4,9-dihydrodiazecin-1-yl]-N-methylhex-1-en-2-amine?
The canonical SMILES for 5-[(2Z,5Z,7E)-8-fluoro-3-methyl-10-methylidene-4,9-dihydrodiazecin-1-yl]-N-methylhex-1-en-2-amine is C=C(CCC(C)N1/N=C(/C)C/C=C\C=C(\F)CC1=C)NC.
What is the InChIKey of 5-[(2Z,5Z,7E)-8-fluoro-3-methyl-10-methylidene-4,9-dihydrodiazecin-1-yl]-N-methylhex-1-en-2-amine?
The InChIKey is CNCPSJYJYWYAEI-IHIJSIEZSA-N. The full InChI is InChI=1S/C17H26FN3/c1-13(19-5)10-11-15(3)21-16(4)12-17(18)9-7-6-8-14(2)20-21/h6-7,9,15,19H,1,4,8,10-12H2,2-3,5H3/b7-6-,17-9+,20-14-.
What are the key properties of 5-[(2Z,5Z,7E)-8-fluoro-3-methyl-10-methylidene-4,9-dihydrodiazecin-1-yl]-N-methylhex-1-en-2-amine?
5-[(2Z,5Z,7E)-8-fluoro-3-methyl-10-methylidene-4,9-dihydrodiazecin-1-yl]-N-methylhex-1-en-2-amine has a molecular weight of 291.41 g/mol, XLogP of 4.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2Z,5Z,7E)-8-fluoro-3-methyl-10-methylidene-4,9-dihydrodiazecin-1-yl]-N-methylhex-1-en-2-amine is sourced from PubChem (CID 174346030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).