(Z)-hex-3-en-1-amine;(6Z,8Z)-10-methylidene-3,5-dihydro-2H-1,4-dioxecine;2,3,4,7-tetrahydro-1H-azepine

C21H36N2O2 — CID 143144513

IUPAC(Z)-hex-3-en-1-amine;(6Z,8Z)-10-methylidene-3,5-dihydro-2H-1,4-dioxecine;2,3,4,7-tetrahydro-1H-azepine
SMILESC1=CCNCCC1.C=C1/C=C\C=C/COCCO1.CC/C=C\CCN
InChIInChI=1S/C9H12O2.C6H11N.C6H13N/c1-9-5-3-2-4-6-10-7-8-11-9;1-2-4-6-7-5-3-1;1-2-3-4-5-6-7/h2-5H,1,6-8H2;1,3,7H,2,4-6H2;3-4H,2,5-7H2,1H3/b4-2-,5-3-;;4-3-
InChIKeyLZRCMGYIJKUTCI-JRICPINRSA-N
MW348.53 g/mol
LogP3.89
Rot. Bonds3

About (Z)-hex-3-en-1-amine;(6Z,8Z)-10-methylidene-3,5-dihydro-2H-1,4-dioxecine;2,3,4,7-tetrahydro-1H-azepine

(Z)-hex-3-en-1-amine;(6Z,8Z)-10-methylidene-3,5-dihydro-2H-1,4-dioxecine;2,3,4,7-tetrahydro-1H-azepine (PubChem CID 143144513) has the molecular formula C21H36N2O2 and a molecular weight of 348.53 g/mol. Its IUPAC name is (Z)-hex-3-en-1-amine;(6Z,8Z)-10-methylidene-3,5-dihydro-2H-1,4-dioxecine;2,3,4,7-tetrahydro-1H-azepine.

Molecular Properties

Compound Name(Z)-hex-3-en-1-amine;(6Z,8Z)-10-methylidene-3,5-dihydro-2H-1,4-dioxecine;2,3,4,7-tetrahydro-1H-azepine
PubChem CID143144513
Molecular FormulaC21H36N2O2
Molecular Weight348.53 g/mol
Exact Mass348.28
IUPAC Name(Z)-hex-3-en-1-amine;(6Z,8Z)-10-methylidene-3,5-dihydro-2H-1,4-dioxecine;2,3,4,7-tetrahydro-1H-azepine
SMILESC1=CCNCCC1.C=C1/C=C\C=C/COCCO1.CC/C=C\CCN
InChIInChI=1S/C9H12O2.C6H11N.C6H13N/c1-9-5-3-2-4-6-10-7-8-11-9;1-2-4-6-7-5-3-1;1-2-3-4-5-6-7/h2-5H,1,6-8H2;1,3,7H,2,4-6H2;3-4H,2,5-7H2,1H3/b4-2-,5-3-;;4-3-
InChIKeyLZRCMGYIJKUTCI-JRICPINRSA-N
XLogP3.89
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.53
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-hex-3-en-1-amine;(6Z,8Z)-10-methylidene-3,5-dihydro-2H-1,4-dioxecine;2,3,4,7-tetrahydro-1H-azepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-hex-3-en-1-amine;(6Z,8Z)-10-methylidene-3,5-dihydro-2H-1,4-dioxecine;2,3,4,7-tetrahydro-1H-azepine?
The IUPAC name of (Z)-hex-3-en-1-amine;(6Z,8Z)-10-methylidene-3,5-dihydro-2H-1,4-dioxecine;2,3,4,7-tetrahydro-1H-azepine (CID 143144513) is (Z)-hex-3-en-1-amine;(6Z,8Z)-10-methylidene-3,5-dihydro-2H-1,4-dioxecine;2,3,4,7-tetrahydro-1H-azepine.
What is the SMILES notation for (Z)-hex-3-en-1-amine;(6Z,8Z)-10-methylidene-3,5-dihydro-2H-1,4-dioxecine;2,3,4,7-tetrahydro-1H-azepine?
The canonical SMILES for (Z)-hex-3-en-1-amine;(6Z,8Z)-10-methylidene-3,5-dihydro-2H-1,4-dioxecine;2,3,4,7-tetrahydro-1H-azepine is C1=CCNCCC1.C=C1/C=C\C=C/COCCO1.CC/C=C\CCN.
What is the InChIKey of (Z)-hex-3-en-1-amine;(6Z,8Z)-10-methylidene-3,5-dihydro-2H-1,4-dioxecine;2,3,4,7-tetrahydro-1H-azepine?
The InChIKey is LZRCMGYIJKUTCI-JRICPINRSA-N. The full InChI is InChI=1S/C9H12O2.C6H11N.C6H13N/c1-9-5-3-2-4-6-10-7-8-11-9;1-2-4-6-7-5-3-1;1-2-3-4-5-6-7/h2-5H,1,6-8H2;1,3,7H,2,4-6H2;3-4H,2,5-7H2,1H3/b4-2-,5-3-;;4-3-.
What are the key properties of (Z)-hex-3-en-1-amine;(6Z,8Z)-10-methylidene-3,5-dihydro-2H-1,4-dioxecine;2,3,4,7-tetrahydro-1H-azepine?
(Z)-hex-3-en-1-amine;(6Z,8Z)-10-methylidene-3,5-dihydro-2H-1,4-dioxecine;2,3,4,7-tetrahydro-1H-azepine has a molecular weight of 348.53 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hex-3-en-1-amine;(6Z,8Z)-10-methylidene-3,5-dihydro-2H-1,4-dioxecine;2,3,4,7-tetrahydro-1H-azepine is sourced from PubChem (CID 143144513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).