N-ethyl-1,5,5-trimethylazepin-2-imine

C11H18N2 — CID 123171134

IUPACN-ethyl-1,5,5-trimethylazepin-2-imine
SMILESCC/N=C1\C=CC(C)(C)C=CN1C
InChIInChI=1S/C11H18N2/c1-5-12-10-6-7-11(2,3)8-9-13(10)4/h6-9H,5H2,1-4H3/b12-10+
InChIKeyMTDZWRJOOHNPES-ZRDIBKRKSA-N
MW178.28 g/mol
LogP2.45
Rot. Bonds1

About N-ethyl-1,5,5-trimethylazepin-2-imine

N-ethyl-1,5,5-trimethylazepin-2-imine (PubChem CID 123171134) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is N-ethyl-1,5,5-trimethylazepin-2-imine.

Molecular Properties

Compound NameN-ethyl-1,5,5-trimethylazepin-2-imine
PubChem CID123171134
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC NameN-ethyl-1,5,5-trimethylazepin-2-imine
SMILESCC/N=C1\C=CC(C)(C)C=CN1C
InChIInChI=1S/C11H18N2/c1-5-12-10-6-7-11(2,3)8-9-13(10)4/h6-9H,5H2,1-4H3/b12-10+
InChIKeyMTDZWRJOOHNPES-ZRDIBKRKSA-N
XLogP2.45
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5,5-Dimethylazepin-2-amine
CID 123272233
2-N,2-N,5-trimethylazepine-2,5-diamine
CID 123646662
N'-(5,5-dimethylazepin-2-yl)-N,N-dimethylmethanimidamide
CID 126584530
N'-methyl-N-[(E)-3-methylbut-1-enyl]-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 134286724
(E)-1-[(E)-ethylideneamino]-5,5-dimethyl-N-[(Z)-prop-1-enyl]azepin-2-imine
CID 134400022
N-[(Z)-but-1-enyl]-N-ethenyl-N'-methylprop-2-enimidamide
CID 134578231
(2Z)-N,N-bis(ethenyl)-N',4-dimethylhexa-2,5-dienimidamide;ethane;prop-1-ene
CID 141783554
N,N,3-trimethyl-4H-azepin-7-amine
CID 143217510
ethane;1-ethenyl-N,5-dimethylpyridin-2-imine
CID 143611239
8,8-Dimethylpyrimido[1,2-a]azepine
CID 143862134
ethane;5-ethyl-N,5-dimethyl-1-[(Z)-4-methylpent-1-enyl]azepin-2-imine
CID 144812822
1-ethenyl-N,4-dimethyl-4H-azepin-7-imine
CID 145141567

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,5,5-trimethylazepin-2-imine?
The IUPAC name of N-ethyl-1,5,5-trimethylazepin-2-imine (CID 123171134) is N-ethyl-1,5,5-trimethylazepin-2-imine.
What is the SMILES notation for N-ethyl-1,5,5-trimethylazepin-2-imine?
The canonical SMILES for N-ethyl-1,5,5-trimethylazepin-2-imine is CC/N=C1\C=CC(C)(C)C=CN1C.
What is the InChIKey of N-ethyl-1,5,5-trimethylazepin-2-imine?
The InChIKey is MTDZWRJOOHNPES-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H18N2/c1-5-12-10-6-7-11(2,3)8-9-13(10)4/h6-9H,5H2,1-4H3/b12-10+.
What are the key properties of N-ethyl-1,5,5-trimethylazepin-2-imine?
N-ethyl-1,5,5-trimethylazepin-2-imine has a molecular weight of 178.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,5,5-trimethylazepin-2-imine is sourced from PubChem (CID 123171134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).