N'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide

C8H14N4 — CID 126598646

IUPACN'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide
SMILES[H]/N=C/N=C(N)/C=N/C=C/C(C)C
InChIInChI=1S/C8H14N4/c1-7(2)3-4-11-5-8(10)12-6-9/h3-7H,1-2H3,(H3,9,10,12)/b4-3+,11-5+
InChIKeyCNMOLMLCUZDTIK-ZHBGKXFASA-N
MW166.23 g/mol
LogP1.19
Rot. Bonds4

About N'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide

N'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide (PubChem CID 126598646) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide.

Molecular Properties

Compound NameN'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide
PubChem CID126598646
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide
SMILES[H]/N=C/N=C(N)/C=N/C=C/C(C)C
InChIInChI=1S/C8H14N4/c1-7(2)3-4-11-5-8(10)12-6-9/h3-7H,1-2H3,(H3,9,10,12)/b4-3+,11-5+
InChIKeyCNMOLMLCUZDTIK-ZHBGKXFASA-N
XLogP1.19
TPSA74.59 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(Z)-3-methylpent-1-enyl]ethanimidamide
CID 124181479
N'-methanimidoyl-2-[(E)-prop-1-enyl]iminoethanimidamide
CID 126593034
2-[(E)-3-methylbut-1-enyl]imino-N'-[(E)-pent-1-enyl]ethanimidamide
CID 126593692
2-methyl-N'-[(Z)-pent-1-enyl]propanimidamide
CID 130233732
N'-(3-methylbut-1-enyl)ethanimidamide
CID 140960156
(5Z,8Z)-7H-1,4-diazonin-2-amine;ethane
CID 141767983
3-methyl-3H-pyrrol-2-amine
CID 142102588
ethane;2-methyl-N'-[(Z)-prop-1-enyl]but-3-enimidamide;molecular hydrogen
CID 144647200
N-ethylidene-N'-[(E)-3-methylbut-1-enyl]methanimidamide
CID 144804624
N'-[(Z)-3-methylbut-1-enyl]propanimidamide
CID 145309298
5-methyl-5H-1,3-diazepin-2-amine
CID 145644097
5-methyl-2-propan-2-yl-5H-1,3-diazepine
CID 146520502

Frequently Asked Questions

What is the IUPAC name of N'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide?
The IUPAC name of N'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide (CID 126598646) is N'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide.
What is the SMILES notation for N'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide?
The canonical SMILES for N'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide is [H]/N=C/N=C(N)/C=N/C=C/C(C)C.
What is the InChIKey of N'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide?
The InChIKey is CNMOLMLCUZDTIK-ZHBGKXFASA-N. The full InChI is InChI=1S/C8H14N4/c1-7(2)3-4-11-5-8(10)12-6-9/h3-7H,1-2H3,(H3,9,10,12)/b4-3+,11-5+.
What are the key properties of N'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide?
N'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide has a molecular weight of 166.23 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methanimidoyl-2-[(E)-3-methylbut-1-enyl]iminoethanimidamide is sourced from PubChem (CID 126598646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).