N'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide

C10H20N2 — CID 166872200

IUPACN'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide
SMILESC/C=C\C(N/C=N/CC)C(C)C
InChIInChI=1S/C10H20N2/c1-5-7-10(9(3)4)12-8-11-6-2/h5,7-10H,6H2,1-4H3,(H,11,12)/b7-5-
InChIKeyCJXIPHUXFIZPHK-ALCCZGGFSA-N
MW168.28 g/mol
LogP2.22
Rot. Bonds5

About N'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide

N'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide (PubChem CID 166872200) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is N'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide
PubChem CID166872200
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC NameN'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide
SMILESC/C=C\C(N/C=N/CC)C(C)C
InChIInChI=1S/C10H20N2/c1-5-7-10(9(3)4)12-8-11-6-2/h5,7-10H,6H2,1-4H3,(H,11,12)/b7-5-
InChIKeyCJXIPHUXFIZPHK-ALCCZGGFSA-N
XLogP2.22
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.22
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide?
The IUPAC name of N'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide (CID 166872200) is N'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide.
What is the SMILES notation for N'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide?
The canonical SMILES for N'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide is C/C=C\C(N/C=N/CC)C(C)C.
What is the InChIKey of N'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide?
The InChIKey is CJXIPHUXFIZPHK-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H20N2/c1-5-7-10(9(3)4)12-8-11-6-2/h5,7-10H,6H2,1-4H3,(H,11,12)/b7-5-.
What are the key properties of N'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide?
N'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide has a molecular weight of 168.28 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(Z)-2-methylhex-4-en-3-yl]methanimidamide is sourced from PubChem (CID 166872200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).