(1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine

C14H25N3 — CID 126734368

IUPAC(1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine
SMILESC=C(CCCC)N1CCC/C(C)=N\N=C(\C)C1
InChIInChI=1S/C14H25N3/c1-5-6-9-14(4)17-10-7-8-12(2)15-16-13(3)11-17/h4-11H2,1-3H3/b15-12-,16-13-
InChIKeyDTXIXMPYEQBLCJ-BNXAACBSSA-N
MW235.37 g/mol
LogP3.62
Rot. Bonds4

About (1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine

(1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine (PubChem CID 126734368) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is (1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine.

Molecular Properties

Compound Name(1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine
PubChem CID126734368
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name(1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine
SMILESC=C(CCCC)N1CCC/C(C)=N\N=C(\C)C1
InChIInChI=1S/C14H25N3/c1-5-6-9-14(4)17-10-7-8-12(2)15-16-13(3)11-17/h4-11H2,1-3H3/b15-12-,16-13-
InChIKeyDTXIXMPYEQBLCJ-BNXAACBSSA-N
XLogP3.62
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine?
The IUPAC name of (1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine (CID 126734368) is (1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine.
What is the SMILES notation for (1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine?
The canonical SMILES for (1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine is C=C(CCCC)N1CCC/C(C)=N\N=C(\C)C1.
What is the InChIKey of (1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine?
The InChIKey is DTXIXMPYEQBLCJ-BNXAACBSSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-6-9-14(4)17-10-7-8-12(2)15-16-13(3)11-17/h4-11H2,1-3H3/b15-12-,16-13-.
What are the key properties of (1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine?
(1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine has a molecular weight of 235.37 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,2E)-5-hex-1-en-2-yl-3,9-dimethyl-4,6,7,8-tetrahydro-1,2,5-triazonine is sourced from PubChem (CID 126734368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).