N-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide

C17H30N6O — CID 111904839

IUPACN-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCCCn1cccn1
InChIInChI=1S/C17H30N6O/c1-2-18-17(19-10-6-12-23-13-7-11-21-23)20-14-16(24)22-15-8-4-3-5-9-15/h7,11,13,15H,2-6,8-10,12,14H2,1H3,(H,22,24)(H2,18,19,20)
InChIKeyHOBVYAOHTXWCAD-UHFFFAOYSA-N
MW334.47 g/mol
LogP1.28
Rot. Bonds8

About N-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide

N-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide (PubChem CID 111904839) has the molecular formula C17H30N6O and a molecular weight of 334.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide
PubChem CID111904839
Molecular FormulaC17H30N6O
Molecular Weight334.47 g/mol
Exact Mass334.25
IUPAC NameN-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide
SMILESCCN/C(=N\CC(=O)NC1CCCCC1)NCCCn1cccn1
InChIInChI=1S/C17H30N6O/c1-2-18-17(19-10-6-12-23-13-7-11-21-23)20-14-16(24)22-15-8-4-3-5-9-15/h7,11,13,15H,2-6,8-10,12,14H2,1H3,(H,22,24)(H2,18,19,20)
InChIKeyHOBVYAOHTXWCAD-UHFFFAOYSA-N
XLogP1.28
TPSA83.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.47
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[[3-(azepan-1-yl)propylamino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide
CID 111325368
2-[[[3-(azepan-1-yl)propylamino]-(ethylamino)methylidene]amino]-N-cyclohexylacetamide;hydroiodide
CID 111325367
N-cyclopropyl-4-[[N-ethyl-N'-(3-pyrazol-1-ylpropyl)carbamimidoyl]amino]butanamide;hydroiodide
CID 111905202
2-[[[3-(azepan-1-yl)propylamino]-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 111325399
N-cyclohexyl-2-[[ethylamino-[3-(2-methylbenzimidazol-1-yl)propylamino]methylidene]amino]acetamide
CID 111352652
N-cyclohexyl-2-[[ethylamino-(3-phenoxypropylamino)methylidene]amino]acetamide;hydroiodide
CID 111418352
N-cyclohexyl-2-[[ethylamino-(4-methylsulfanylbutylamino)methylidene]amino]acetamide;hydroiodide
CID 111626949
N-cyclohexyl-2-(2-pyrazol-1-ylethylamino)acetamide
CID 54951795
2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]-N-phenylacetamide;hydroiodide
CID 111905250
N-cyclohexyl-2-[[ethylamino-(2-methoxyethylamino)methylidene]amino]acetamide;hydroiodide
CID 110940777
2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]-N-(4-fluorophenyl)acetamide
CID 111904435
N-cyclopropyl-2-[[ethylamino-(3-indol-1-ylpropylamino)methylidene]amino]acetamide
CID 111342083

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide?
The IUPAC name of N-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide (CID 111904839) is N-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide is CCN/C(=N\CC(=O)NC1CCCCC1)NCCCn1cccn1.
What is the InChIKey of N-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide?
The InChIKey is HOBVYAOHTXWCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O/c1-2-18-17(19-10-6-12-23-13-7-11-21-23)20-14-16(24)22-15-8-4-3-5-9-15/h7,11,13,15H,2-6,8-10,12,14H2,1H3,(H,22,24)(H2,18,19,20).
What are the key properties of N-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide?
N-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide has a molecular weight of 334.47 g/mol, XLogP of 1.28, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[ethylamino-(3-pyrazol-1-ylpropylamino)methylidene]amino]acetamide is sourced from PubChem (CID 111904839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).