7-hex-1-enyl-7-methyl-2,5,6,8,9,10-hexahydro-1H-1,4-diazecine

C15H28N2 — CID 123997422

IUPAC7-hex-1-enyl-7-methyl-2,5,6,8,9,10-hexahydro-1H-1,4-diazecine
SMILESCCCCC=CC1(C)CCCNC/C=N\CC1
InChIInChI=1S/C15H28N2/c1-3-4-5-6-8-15(2)9-7-11-16-13-14-17-12-10-15/h6,8,14,16H,3-5,7,9-13H2,1-2H3/b8-6?,17-14-
InChIKeyCDZICLPTVMFJNB-DKVJLZHQSA-N
MW236.40 g/mol
LogP3.58
Rot. Bonds4

About 7-hex-1-enyl-7-methyl-2,5,6,8,9,10-hexahydro-1H-1,4-diazecine

7-hex-1-enyl-7-methyl-2,5,6,8,9,10-hexahydro-1H-1,4-diazecine (PubChem CID 123997422) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 7-hex-1-enyl-7-methyl-2,5,6,8,9,10-hexahydro-1H-1,4-diazecine.

Molecular Properties

Compound Name7-hex-1-enyl-7-methyl-2,5,6,8,9,10-hexahydro-1H-1,4-diazecine
PubChem CID123997422
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name7-hex-1-enyl-7-methyl-2,5,6,8,9,10-hexahydro-1H-1,4-diazecine
SMILESCCCCC=CC1(C)CCCNC/C=N\CC1
InChIInChI=1S/C15H28N2/c1-3-4-5-6-8-15(2)9-7-11-16-13-14-17-12-10-15/h6,8,14,16H,3-5,7,9-13H2,1-2H3/b8-6?,17-14-
InChIKeyCDZICLPTVMFJNB-DKVJLZHQSA-N
XLogP3.58
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-hex-1-enyl-7-methyl-2,5,6,8,9,10-hexahydro-1H-1,4-diazecine with MolForge

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Related Compounds

(E)-N-(2-ethyliminoethyl)-N'-methyl-4-propylpent-2-ene-1,5-diamine
CID 117913840
7-ethyl-N,7-dimethyl-10-methyliminodec-4-en-1-amine
CID 123606269
(5E)-N-ethyl-3,6,8-trimethyl-2,3,4,7,8,9-hexahydroazecin-9-amine
CID 132037049
N-methyl-3-[(3R)-3-prop-2-enylpiperidin-3-yl]propan-1-imine
CID 135265059
(Z)-5-methyl-N-[(E)-2-methyl-4-methyliminobut-2-enyl]oct-6-en-1-amine
CID 156301270
N-[[1-[(E)-but-2-en-2-yl]cyclobutyl]methyl]-2-iminoethanamine;molecular hydrogen
CID 170578504
7-[(5Z)-1,2,3,4,7,8-hexahydroazocin-3-yl]-2,3,4,7,8,9-hexahydroazecine
CID 173978348
N-[[1-[(E)-but-2-en-2-yl]cyclobutyl]methyl]-2-iminoethanamine
CID 170578505

Frequently Asked Questions

What is the IUPAC name of 7-hex-1-enyl-7-methyl-2,5,6,8,9,10-hexahydro-1H-1,4-diazecine?
The IUPAC name of 7-hex-1-enyl-7-methyl-2,5,6,8,9,10-hexahydro-1H-1,4-diazecine (CID 123997422) is 7-hex-1-enyl-7-methyl-2,5,6,8,9,10-hexahydro-1H-1,4-diazecine.
What is the SMILES notation for 7-hex-1-enyl-7-methyl-2,5,6,8,9,10-hexahydro-1H-1,4-diazecine?
The canonical SMILES for 7-hex-1-enyl-7-methyl-2,5,6,8,9,10-hexahydro-1H-1,4-diazecine is CCCCC=CC1(C)CCCNC/C=N\CC1.
What is the InChIKey of 7-hex-1-enyl-7-methyl-2,5,6,8,9,10-hexahydro-1H-1,4-diazecine?
The InChIKey is CDZICLPTVMFJNB-DKVJLZHQSA-N. The full InChI is InChI=1S/C15H28N2/c1-3-4-5-6-8-15(2)9-7-11-16-13-14-17-12-10-15/h6,8,14,16H,3-5,7,9-13H2,1-2H3/b8-6?,17-14-.
What are the key properties of 7-hex-1-enyl-7-methyl-2,5,6,8,9,10-hexahydro-1H-1,4-diazecine?
7-hex-1-enyl-7-methyl-2,5,6,8,9,10-hexahydro-1H-1,4-diazecine has a molecular weight of 236.40 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hex-1-enyl-7-methyl-2,5,6,8,9,10-hexahydro-1H-1,4-diazecine is sourced from PubChem (CID 123997422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).