(Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide

C11H21N3 — CID 176540922

IUPAC(Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide
SMILES[H]/N=C(\N/C(C)=N/CC)C(C)C/C=C\C
InChIInChI=1S/C11H21N3/c1-5-7-8-9(3)11(12)14-10(4)13-6-2/h5,7,9H,6,8H2,1-4H3,(H2,12,13,14)/b7-5-
InChIKeyZBYPKMPHIQGRQV-ALCCZGGFSA-N
MW195.31 g/mol
LogP2.59
Rot. Bonds4

About (Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide

(Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide (PubChem CID 176540922) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is (Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide.

Molecular Properties

Compound Name(Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide
PubChem CID176540922
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name(Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide
SMILES[H]/N=C(\N/C(C)=N/CC)C(C)C/C=C\C
InChIInChI=1S/C11H21N3/c1-5-7-8-9(3)11(12)14-10(4)13-6-2/h5,7,9H,6,8H2,1-4H3,(H2,12,13,14)/b7-5-
InChIKeyZBYPKMPHIQGRQV-ALCCZGGFSA-N
XLogP2.59
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.59
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-N-ethyl-5-methylhexane-2,4-diimine
CID 123963604
ethane;N-(N-ethyl-C-methylcarbonimidoyl)-N'-methylethanimidamide
CID 143733110
5,6,7-trimethyldeca-2,6-diene
CID 123505419
N'-ethyl-N-propan-2-ylethanimidamide
CID 21064634
calcium;hydride;3-methylhept-5-en-2-one
CID 175109385
4-methyloct-6-en-3-one
CID 73301984
(E)-5-methylhept-2-ene
CID 5364849
(E)-hex-4-en-2-imine
CID 15835471
N-(2-methylpropanimidoyl)acetamide
CID 142079476
(E)-2-methylhex-4-enamide
CID 126589197
(Z,2S)-2-acetamidohex-4-enoic acid
CID 88873781
5,6-dimethyldeca-1,4,8-triene
CID 59970929

Frequently Asked Questions

What is the IUPAC name of (Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide?
The IUPAC name of (Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide (CID 176540922) is (Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide.
What is the SMILES notation for (Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide?
The canonical SMILES for (Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide is [H]/N=C(\N/C(C)=N/CC)C(C)C/C=C\C.
What is the InChIKey of (Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide?
The InChIKey is ZBYPKMPHIQGRQV-ALCCZGGFSA-N. The full InChI is InChI=1S/C11H21N3/c1-5-7-8-9(3)11(12)14-10(4)13-6-2/h5,7,9H,6,8H2,1-4H3,(H2,12,13,14)/b7-5-.
What are the key properties of (Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide?
(Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide has a molecular weight of 195.31 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(N-ethyl-C-methylcarbonimidoyl)-2-methylhex-4-enimidamide is sourced from PubChem (CID 176540922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).