ethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide

C11H22N2 — CID 142218592

IUPACethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide
SMILESC=C(C)/C(C)=N/C=N/C(C)C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-7(2)9(5)11-6-10-8(3)4;1-2/h6,8H,1H2,2-5H3;1-2H3/b10-6+,11-9+;
InChIKeyQTISTXANFFQGNP-MQSMORABSA-N
MW182.31 g/mol
LogP3.49
Rot. Bonds3

About ethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide

ethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide (PubChem CID 142218592) has the molecular formula C11H22N2 and a molecular weight of 182.31 g/mol. Its IUPAC name is ethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide.

Molecular Properties

Compound Nameethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide
PubChem CID142218592
Molecular FormulaC11H22N2
Molecular Weight182.31 g/mol
Exact Mass182.18
IUPAC Nameethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide
SMILESC=C(C)/C(C)=N/C=N/C(C)C.CC
InChIInChI=1S/C9H16N2.C2H6/c1-7(2)9(5)11-6-10-8(3)4;1-2/h6,8H,1H2,2-5H3;1-2H3/b10-6+,11-9+;
InChIKeyQTISTXANFFQGNP-MQSMORABSA-N
XLogP3.49
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.31
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-N,3-dimethyl-1-N-propan-2-ylbut-3-ene-1,2-diimine
CID 123216675
2-(3-Methylbut-3-en-2-yl)-1-(3-methylbut-3-en-2-ylidene)guanidine
CID 123246529
6-methyl-5-methylidene-4H-pyrimidine
CID 130455690
N'-methyl-N-(2-methylidenebutylidene)ethanimidamide
CID 132107369
N'-methyl-N-(3-methylbut-3-en-2-ylidene)ethanimidamide
CID 134225164
ethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide
CID 142218579
ethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide
CID 144747119
N-(2-methylidenebut-3-enylidene)-N'-propan-2-ylethanimidamide
CID 169897758
(E)-but-2-ene;N'-ethyl-N-(3-methylidenepent-4-en-2-ylidene)methanimidamide
CID 171629319
N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide
CID 142218580
N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide
CID 142218593
N'-methyl-N-(2-methylpent-1-en-3-ylidene)methanimidamide
CID 148424294

Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide?
The IUPAC name of ethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide (CID 142218592) is ethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide.
What is the SMILES notation for ethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide?
The canonical SMILES for ethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide is C=C(C)/C(C)=N/C=N/C(C)C.CC.
What is the InChIKey of ethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide?
The InChIKey is QTISTXANFFQGNP-MQSMORABSA-N. The full InChI is InChI=1S/C9H16N2.C2H6/c1-7(2)9(5)11-6-10-8(3)4;1-2/h6,8H,1H2,2-5H3;1-2H3/b10-6+,11-9+;.
What are the key properties of ethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide?
ethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide has a molecular weight of 182.31 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide is sourced from PubChem (CID 142218592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).