N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide

C8H14N2 — CID 142218580

IUPACN'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide
SMILESC=C(C)/C(C)=N/C=N/CC
InChIInChI=1S/C8H14N2/c1-5-9-6-10-8(4)7(2)3/h6H,2,5H2,1,3-4H3/b9-6+,10-8+
InChIKeyKYULJORMGBUIHC-OAMUUVBCSA-N
MW138.21 g/mol
LogP2.07
Rot. Bonds3

About N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide

N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide (PubChem CID 142218580) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide
PubChem CID142218580
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide
SMILESC=C(C)/C(C)=N/C=N/CC
InChIInChI=1S/C8H14N2/c1-5-9-6-10-8(4)7(2)3/h6H,2,5H2,1,3-4H3/b9-6+,10-8+
InChIKeyKYULJORMGBUIHC-OAMUUVBCSA-N
XLogP2.07
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.07
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

N-(3-methylbut-3-en-2-ylidene)methanimidamide
CID 90127063
2,6-dimethyl-5-methylidene-4H-pyrimidine
CID 91080340
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
1-(3-Methanimidoylbut-3-en-2-ylidene)-2-methylguanidine
CID 123756417
N'-methyl-N-(3-methyl-2-methylidenebutylidene)methanimidamide
CID 126657727
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
N'-methyl-N-(2-methylidenebutylidene)methanimidamide
CID 137390860
ethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide
CID 142218579
ethane;N-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide
CID 142218592

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide?
The IUPAC name of N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide (CID 142218580) is N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide.
What is the SMILES notation for N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide?
The canonical SMILES for N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide is C=C(C)/C(C)=N/C=N/CC.
What is the InChIKey of N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide?
The InChIKey is KYULJORMGBUIHC-OAMUUVBCSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-9-6-10-8(4)7(2)3/h6H,2,5H2,1,3-4H3/b9-6+,10-8+.
What are the key properties of N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide?
N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide has a molecular weight of 138.21 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide is sourced from PubChem (CID 142218580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).