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

C10H20N2 — CID 142218579

IUPACethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide
SMILESC=C(C)/C(C)=N/C=N/CC.CC
InChIInChI=1S/C8H14N2.C2H6/c1-5-9-6-10-8(4)7(2)3;1-2/h6H,2,5H2,1,3-4H3;1-2H3/b9-6+,10-8+;
InChIKeyDKRMVXNBPGJGJY-SOLPIYCBSA-N
MW168.28 g/mol
LogP3.10
Rot. Bonds3

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

ethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide (PubChem CID 142218579) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is ethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide.

Molecular Properties

Compound Nameethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide
PubChem CID142218579
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Nameethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide
SMILESC=C(C)/C(C)=N/C=N/CC.CC
InChIInChI=1S/C8H14N2.C2H6/c1-5-9-6-10-8(4)7(2)3;1-2/h6H,2,5H2,1,3-4H3;1-2H3/b9-6+,10-8+;
InChIKeyDKRMVXNBPGJGJY-SOLPIYCBSA-N
XLogP3.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 53.10
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-methyl-N-[2-methyl-1-(propan-2-ylideneamino)prop-1-enyl]prop-2-en-1-imine
CID 123202202
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
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-(3-methylbut-3-en-2-ylidene)-N'-propan-2-ylmethanimidamide
CID 142218592
(NZ)-N'-methyl-N-(3-methylbut-3-en-2-ylidene)carbamimidoyl chloride
CID 142498627
ethane;N'-methyl-N-(2-methylidenecyclopentylidene)methanimidamide
CID 144747119
N-but-3-en-2-ylidene-N'-ethylmethanimidamide;ethane
CID 144954685
N-(3-methyl-2-methylidenebutylidene)-N'-propylmethanimidamide
CID 156372480

Frequently Asked Questions

What is the IUPAC name of ethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide?
The IUPAC name of ethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide (CID 142218579) is ethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide.
What is the SMILES notation for ethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide?
The canonical SMILES for ethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide is C=C(C)/C(C)=N/C=N/CC.CC.
What is the InChIKey of ethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide?
The InChIKey is DKRMVXNBPGJGJY-SOLPIYCBSA-N. The full InChI is InChI=1S/C8H14N2.C2H6/c1-5-9-6-10-8(4)7(2)3;1-2/h6H,2,5H2,1,3-4H3;1-2H3/b9-6+,10-8+;.
What are the key properties of ethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide?
ethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide has a molecular weight of 168.28 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N'-ethyl-N-(3-methylbut-3-en-2-ylidene)methanimidamide is sourced from PubChem (CID 142218579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).