N-[(Z)-2-methylbut-2-enylidene]ethanimidamide

C7H12N2 — CID 118018706

IUPACN-[(Z)-2-methylbut-2-enylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C(C)=C\C
InChIInChI=1S/C7H12N2/c1-4-6(2)5-9-7(3)8/h4-5,8H,1-3H3/b6-4-,8-7+,9-5+
InChIKeySXBBQSYIEZDTMN-XMORXVDMSA-N
MW124.19 g/mol
LogP2.02
Rot. Bonds1

About N-[(Z)-2-methylbut-2-enylidene]ethanimidamide

N-[(Z)-2-methylbut-2-enylidene]ethanimidamide (PubChem CID 118018706) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is N-[(Z)-2-methylbut-2-enylidene]ethanimidamide.

Molecular Properties

Compound NameN-[(Z)-2-methylbut-2-enylidene]ethanimidamide
PubChem CID118018706
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC NameN-[(Z)-2-methylbut-2-enylidene]ethanimidamide
SMILES[H]/N=C(C)/N=C/C(C)=C\C
InChIInChI=1S/C7H12N2/c1-4-6(2)5-9-7(3)8/h4-5,8H,1-3H3/b6-4-,8-7+,9-5+
InChIKeySXBBQSYIEZDTMN-XMORXVDMSA-N
XLogP2.02
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.02
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'}

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Related Compounds

2-Methyl-5-methylidenepyrimidin-4-imine
CID 4635105
2,2,2-trifluoro-N-(3-methylbut-2-enylidene)ethanimidamide
CID 89170049
N-(2-fluoro-3-methylbut-2-enylidene)propanimidamide
CID 126687129
3-Methylazepin-2-imine
CID 19369244
(Z)-4-imino-3-methylbut-2-enimidamide
CID 59089681
3-Methylpyrrol-2-imine
CID 66915215
N-[(Z)-3-iodo-2-methylprop-2-enylidene]ethanimidamide
CID 88582082
N-(3-methylbut-2-enylidene)propanimidamide
CID 89170047
N-(2-methylprop-2-enylidene)ethanimidamide
CID 89316710
N-[(Z)-2-methylbut-2-enylidene]but-2-ynimidamide
CID 89493087
N-[(Z)-2-methylbut-2-enylidene]methanimidamide
CID 89661481
N-[(Z)-but-2-enylidene]ethanimidamide
CID 89697914

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-methylbut-2-enylidene]ethanimidamide?
The IUPAC name of N-[(Z)-2-methylbut-2-enylidene]ethanimidamide (CID 118018706) is N-[(Z)-2-methylbut-2-enylidene]ethanimidamide.
What is the SMILES notation for N-[(Z)-2-methylbut-2-enylidene]ethanimidamide?
The canonical SMILES for N-[(Z)-2-methylbut-2-enylidene]ethanimidamide is [H]/N=C(C)/N=C/C(C)=C\C.
What is the InChIKey of N-[(Z)-2-methylbut-2-enylidene]ethanimidamide?
The InChIKey is SXBBQSYIEZDTMN-XMORXVDMSA-N. The full InChI is InChI=1S/C7H12N2/c1-4-6(2)5-9-7(3)8/h4-5,8H,1-3H3/b6-4-,8-7+,9-5+.
What are the key properties of N-[(Z)-2-methylbut-2-enylidene]ethanimidamide?
N-[(Z)-2-methylbut-2-enylidene]ethanimidamide has a molecular weight of 124.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-methylbut-2-enylidene]ethanimidamide is sourced from PubChem (CID 118018706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).