N-ethylidene-N'-[(Z)-4-methylpent-1-enyl]methanimidamide

C9H16N2 — CID 130348030

IUPACN-ethylidene-N'-[(Z)-4-methylpent-1-enyl]methanimidamide
SMILESC/C=N/C=N/C=C\CC(C)C
InChIInChI=1S/C9H16N2/c1-4-10-8-11-7-5-6-9(2)3/h4-5,7-9H,6H2,1-3H3/b7-5-,10-4+,11-8+
InChIKeyMRZTVLFCVCSBOZ-BLJGHRAISA-N
MW152.24 g/mol
LogP2.67
Rot. Bonds4

About N-ethylidene-N'-[(Z)-4-methylpent-1-enyl]methanimidamide

N-ethylidene-N'-[(Z)-4-methylpent-1-enyl]methanimidamide (PubChem CID 130348030) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N-ethylidene-N'-[(Z)-4-methylpent-1-enyl]methanimidamide.

Molecular Properties

Compound NameN-ethylidene-N'-[(Z)-4-methylpent-1-enyl]methanimidamide
PubChem CID130348030
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN-ethylidene-N'-[(Z)-4-methylpent-1-enyl]methanimidamide
SMILESC/C=N/C=N/C=C\CC(C)C
InChIInChI=1S/C9H16N2/c1-4-10-8-11-7-5-6-9(2)3/h4-5,7-9H,6H2,1-3H3/b7-5-,10-4+,11-8+
InChIKeyMRZTVLFCVCSBOZ-BLJGHRAISA-N
XLogP2.67
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.67
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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Frequently Asked Questions

What is the IUPAC name of N-ethylidene-N'-[(Z)-4-methylpent-1-enyl]methanimidamide?
The IUPAC name of N-ethylidene-N'-[(Z)-4-methylpent-1-enyl]methanimidamide (CID 130348030) is N-ethylidene-N'-[(Z)-4-methylpent-1-enyl]methanimidamide.
What is the SMILES notation for N-ethylidene-N'-[(Z)-4-methylpent-1-enyl]methanimidamide?
The canonical SMILES for N-ethylidene-N'-[(Z)-4-methylpent-1-enyl]methanimidamide is C/C=N/C=N/C=C\CC(C)C.
What is the InChIKey of N-ethylidene-N'-[(Z)-4-methylpent-1-enyl]methanimidamide?
The InChIKey is MRZTVLFCVCSBOZ-BLJGHRAISA-N. The full InChI is InChI=1S/C9H16N2/c1-4-10-8-11-7-5-6-9(2)3/h4-5,7-9H,6H2,1-3H3/b7-5-,10-4+,11-8+.
What are the key properties of N-ethylidene-N'-[(Z)-4-methylpent-1-enyl]methanimidamide?
N-ethylidene-N'-[(Z)-4-methylpent-1-enyl]methanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylidene-N'-[(Z)-4-methylpent-1-enyl]methanimidamide is sourced from PubChem (CID 130348030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).