ethane;N-ethenyl-5,5-dimethyl-1-[(E)-prop-1-enyl]-1,4-diazepin-2-imine

C14H23N3 — CID 144812667

IUPACethane;N-ethenyl-5,5-dimethyl-1-[(E)-prop-1-enyl]-1,4-diazepin-2-imine
SMILESC=C/N=C1\C=NC(C)(C)C=CN1/C=C/C.CC
InChIInChI=1S/C12H17N3.C2H6/c1-5-8-15-9-7-12(3,4)14-10-11(15)13-6-2;1-2/h5-10H,2H2,1,3-4H3;1-2H3/b8-5+,13-11+;
InChIKeyUGIVGAKFCUHZCE-VVHCZRFDSA-N
MW233.36 g/mol
LogP3.77
Rot. Bonds2

About ethane;N-ethenyl-5,5-dimethyl-1-[(E)-prop-1-enyl]-1,4-diazepin-2-imine

ethane;N-ethenyl-5,5-dimethyl-1-[(E)-prop-1-enyl]-1,4-diazepin-2-imine (PubChem CID 144812667) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is ethane;N-ethenyl-5,5-dimethyl-1-[(E)-prop-1-enyl]-1,4-diazepin-2-imine.

Molecular Properties

Compound Nameethane;N-ethenyl-5,5-dimethyl-1-[(E)-prop-1-enyl]-1,4-diazepin-2-imine
PubChem CID144812667
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Nameethane;N-ethenyl-5,5-dimethyl-1-[(E)-prop-1-enyl]-1,4-diazepin-2-imine
SMILESC=C/N=C1\C=NC(C)(C)C=CN1/C=C/C.CC
InChIInChI=1S/C12H17N3.C2H6/c1-5-8-15-9-7-12(3,4)14-10-11(15)13-6-2;1-2/h5-10H,2H2,1,3-4H3;1-2H3/b8-5+,13-11+;
InChIKeyUGIVGAKFCUHZCE-VVHCZRFDSA-N
XLogP3.77
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-2-methylidene-1-[(Z)-prop-1-enyl]pyridine
CID 153375431
N-[4-ethenyl-1-[(Z)-prop-1-enyl]pyrazol-5-yl]methanimine
CID 142406766
ethane;2-ethenyl-3-[(Z)-prop-1-enyl]imidazol-4-amine
CID 144934481
6-ethenylimino-1-methyl-1,3,5-triazin-2-amine
CID 89087434
1,2,4,4-tetramethylpyrimidine
CID 89117597
1-ethenyl-3-prop-1-enyl-2H-imidazole
CID 159199866
ethane;N-ethenyl-6-ethyl-2-methylpyridazin-3-imine
CID 168898415
ethane;N-ethenyl-1-ethylpyrimidin-2-imine
CID 143234739
N-ethenyl-1,6-dimethylpyrazin-2-imine
CID 139437425
(Z)-but-2-ene;ethane;bis(prop-1-ene)
CID 144848347
6,7-bis(ethenyl)-3,3-dimethylazepine;ethane
CID 142022786
(1E)-2,2-dimethyl-1-[5-methyl-1-[(Z)-prop-1-enyl]pyrimidin-2-ylidene]propan-1-amine
CID 167182561

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethenyl-5,5-dimethyl-1-[(E)-prop-1-enyl]-1,4-diazepin-2-imine?
The IUPAC name of ethane;N-ethenyl-5,5-dimethyl-1-[(E)-prop-1-enyl]-1,4-diazepin-2-imine (CID 144812667) is ethane;N-ethenyl-5,5-dimethyl-1-[(E)-prop-1-enyl]-1,4-diazepin-2-imine.
What is the SMILES notation for ethane;N-ethenyl-5,5-dimethyl-1-[(E)-prop-1-enyl]-1,4-diazepin-2-imine?
The canonical SMILES for ethane;N-ethenyl-5,5-dimethyl-1-[(E)-prop-1-enyl]-1,4-diazepin-2-imine is C=C/N=C1\C=NC(C)(C)C=CN1/C=C/C.CC.
What is the InChIKey of ethane;N-ethenyl-5,5-dimethyl-1-[(E)-prop-1-enyl]-1,4-diazepin-2-imine?
The InChIKey is UGIVGAKFCUHZCE-VVHCZRFDSA-N. The full InChI is InChI=1S/C12H17N3.C2H6/c1-5-8-15-9-7-12(3,4)14-10-11(15)13-6-2;1-2/h5-10H,2H2,1,3-4H3;1-2H3/b8-5+,13-11+;.
What are the key properties of ethane;N-ethenyl-5,5-dimethyl-1-[(E)-prop-1-enyl]-1,4-diazepin-2-imine?
ethane;N-ethenyl-5,5-dimethyl-1-[(E)-prop-1-enyl]-1,4-diazepin-2-imine has a molecular weight of 233.36 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethenyl-5,5-dimethyl-1-[(E)-prop-1-enyl]-1,4-diazepin-2-imine is sourced from PubChem (CID 144812667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).