ethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide

C11H26N2 — CID 143326378

IUPACethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide
SMILESC=C(C)C/N=C/NCC.CC.CC
InChIInChI=1S/C7H14N2.2C2H6/c1-4-8-6-9-5-7(2)3;2*1-2/h6H,2,4-5H2,1,3H3,(H,8,9);2*1-2H3
InChIKeyNCNNOZKXJJIJDQ-UHFFFAOYSA-N
MW186.34 g/mol
LogP3.25
Rot. Bonds4

About ethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide

ethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide (PubChem CID 143326378) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is ethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide.

Molecular Properties

Compound Nameethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide
PubChem CID143326378
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Nameethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide
SMILESC=C(C)C/N=C/NCC.CC.CC
InChIInChI=1S/C7H14N2.2C2H6/c1-4-8-6-9-5-7(2)3;2*1-2/h6H,2,4-5H2,1,3H3,(H,8,9);2*1-2H3
InChIKeyNCNNOZKXJJIJDQ-UHFFFAOYSA-N
XLogP3.25
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Pterogynidine
CID 10035557
N'-[(E)-3-(ethylamino)-2-methylprop-2-enyl]methanimidamide
CID 118973183
N-[2-(ethylaminomethyl)prop-2-enyl]-N'-methylmethanimidamide
CID 123948650
N'-methyl-N-prop-2-enylmethanimidamide
CID 142271508
ethane;N'-methyl-N-(2-methylprop-2-enyl)methanimidamide
CID 142904067
N,N'-bis(prop-2-enyl)methanimidamide;ethane
CID 143786637
ethane;N'-methyl-N-prop-2-enylmethanimidamide
CID 144003632
N-ethyl-N'-methylmethanimidamide;2,3,3-trimethylbut-1-ene
CID 144528328
ethane;N'-methyl-N-(2-methylprop-1-enyl)methanimidamide
CID 144649640
N-(2,3-dimethylbut-2-enyl)-N'-methylmethanimidamide
CID 156242070
N-[2-(methylideneamino)ethyl]-N'-(2-methylidenebutyl)methanimidamide
CID 163971310
N'-[(E)-1-amino-2-methyl-4-(methylamino)but-2-enyl]methanimidamide
CID 173628342

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide?
The IUPAC name of ethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide (CID 143326378) is ethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide.
What is the SMILES notation for ethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide?
The canonical SMILES for ethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide is C=C(C)C/N=C/NCC.CC.CC.
What is the InChIKey of ethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide?
The InChIKey is NCNNOZKXJJIJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.2C2H6/c1-4-8-6-9-5-7(2)3;2*1-2/h6H,2,4-5H2,1,3H3,(H,8,9);2*1-2H3.
What are the key properties of ethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide?
ethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide has a molecular weight of 186.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N'-(2-methylprop-2-enyl)methanimidamide is sourced from PubChem (CID 143326378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).