1-prop-2-enyl-(614C)1,4-diazinane

C7H14N2 — CID 173059230

IUPAC1-prop-2-enyl-(614C)1,4-diazinane
SMILESC=CCN1CCNC[14CH2]1
InChIInChI=1S/C7H14N2/c1-2-5-9-6-3-8-4-7-9/h2,8H,1,3-7H2/i6+2
InChIKeyZWAQJGHGPPDZSF-ZQBYOMGUSA-N
MW128.20 g/mol
LogP0.08
Rot. Bonds2

About 1-prop-2-enyl-(614C)1,4-diazinane

1-prop-2-enyl-(614C)1,4-diazinane (PubChem CID 173059230) has the molecular formula C7H14N2 and a molecular weight of 128.20 g/mol. Its IUPAC name is 1-prop-2-enyl-(614C)1,4-diazinane.

Molecular Properties

Compound Name1-prop-2-enyl-(614C)1,4-diazinane
PubChem CID173059230
Molecular FormulaC7H14N2
Molecular Weight128.20 g/mol
Exact Mass128.12
IUPAC Name1-prop-2-enyl-(614C)1,4-diazinane
SMILESC=CCN1CCNC[14CH2]1
InChIInChI=1S/C7H14N2/c1-2-5-9-6-3-8-4-7-9/h2,8H,1,3-7H2/i6+2
InChIKeyZWAQJGHGPPDZSF-ZQBYOMGUSA-N
XLogP0.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Allylpiperazine
CID 806422
1-Allyl-2,5-dimethylpiperazine
CID 4135660
(-)-(2R,5S)-1-allyl-2,5-dimethylpiperazine
CID 10534891
(2S,5R)-1-allyl-2,5-dimethylpiperazine
CID 11291191
1-[2-(Diallylamino)-ethyl]-piperazine
CID 2735924
1-(3-Diallylaminopropyl)piperazine
CID 2735926
(+/-)-trans-1-Allyl-2,5-dimethylpiperazine
CID 89312366
N-Allylethylenediamine
CID 520997
1-[(E)-prop-1-enyl]piperazine
CID 17883578
N-allyl-3-methylpiperazine
CID 23447962
3-Chloroprop-2-en-1-ylpiperazine
CID 73990229
1-(4-Fluorobut-2-enyl)piperazine
CID 139714684

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enyl-(614C)1,4-diazinane?
The IUPAC name of 1-prop-2-enyl-(614C)1,4-diazinane (CID 173059230) is 1-prop-2-enyl-(614C)1,4-diazinane.
What is the SMILES notation for 1-prop-2-enyl-(614C)1,4-diazinane?
The canonical SMILES for 1-prop-2-enyl-(614C)1,4-diazinane is C=CCN1CCNC[14CH2]1.
What is the InChIKey of 1-prop-2-enyl-(614C)1,4-diazinane?
The InChIKey is ZWAQJGHGPPDZSF-ZQBYOMGUSA-N. The full InChI is InChI=1S/C7H14N2/c1-2-5-9-6-3-8-4-7-9/h2,8H,1,3-7H2/i6+2.
What are the key properties of 1-prop-2-enyl-(614C)1,4-diazinane?
1-prop-2-enyl-(614C)1,4-diazinane has a molecular weight of 128.20 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-(614C)1,4-diazinane is sourced from PubChem (CID 173059230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).