2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide

C16H25N5O — CID 111090861

IUPAC2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide
SMILESN/C(=N\CC(=O)NC1CCCCC1)NCCc1ccccn1
InChIInChI=1S/C16H25N5O/c17-16(19-11-9-13-6-4-5-10-18-13)20-12-15(22)21-14-7-2-1-3-8-14/h4-6,10,14H,1-3,7-9,11-12H2,(H,21,22)(H3,17,19,20)
InChIKeyLDSFXBSIZLQJCZ-UHFFFAOYSA-N
MW303.41 g/mol
LogP0.98
Rot. Bonds6

About 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide

2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide (PubChem CID 111090861) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide
PubChem CID111090861
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC Name2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide
SMILESN/C(=N\CC(=O)NC1CCCCC1)NCCc1ccccn1
InChIInChI=1S/C16H25N5O/c17-16(19-11-9-13-6-4-5-10-18-13)20-12-15(22)21-14-7-2-1-3-8-14/h4-6,10,14H,1-3,7-9,11-12H2,(H,21,22)(H3,17,19,20)
InChIKeyLDSFXBSIZLQJCZ-UHFFFAOYSA-N
XLogP0.98
TPSA92.40 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-propylacetamide
CID 111032170
2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111075397
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(2-methoxyethyl)acetamide
CID 111037028
N-cycloheptyl-3-pyridin-2-ylpropanamide
CID 110389210
N-(2-pyridin-2-ylethyl)cyclopentanecarboxamide
CID 110872250
2-(2-cycloheptyloxyethyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111575875
N-[3-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]propyl]cyclobutanecarboxamide
CID 111752286
N-cyclopentyl-3-[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]propanamide
CID 111193162
N-cyclopentyl-3-pyridin-2-ylpropanamide
CID 78980134
2-[[(cyclohexylamino)-(2-pyridin-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 110958733
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-(furan-2-ylmethyl)acetamide;hydroiodide
CID 111035913
2-[2-[cyclohexyl(methyl)amino]ethyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111057297

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide?
The IUPAC name of 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide (CID 111090861) is 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide.
What is the SMILES notation for 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide?
The canonical SMILES for 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide is N/C(=N\CC(=O)NC1CCCCC1)NCCc1ccccn1.
What is the InChIKey of 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide?
The InChIKey is LDSFXBSIZLQJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c17-16(19-11-9-13-6-4-5-10-18-13)20-12-15(22)21-14-7-2-1-3-8-14/h4-6,10,14H,1-3,7-9,11-12H2,(H,21,22)(H3,17,19,20).
What are the key properties of 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide?
2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide has a molecular weight of 303.41 g/mol, XLogP of 0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-(2-pyridin-2-ylethylamino)methylidene]amino]-N-cyclohexylacetamide is sourced from PubChem (CID 111090861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).