N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide

C17H32N4O — CID 111095548

IUPACN-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
SMILESN/C(=N\CCNC(=O)CC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C17H32N4O/c18-17(21-15-9-5-2-6-10-15)20-12-11-19-16(22)13-14-7-3-1-4-8-14/h14-15H,1-13H2,(H,19,22)(H3,18,20,21)
InChIKeyRXYUAGMCBZAFGX-UHFFFAOYSA-N
MW308.47 g/mol
LogP2.31
Rot. Bonds6

About N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide

N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide (PubChem CID 111095548) has the molecular formula C17H32N4O and a molecular weight of 308.47 g/mol. Its IUPAC name is N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide.

Molecular Properties

Compound NameN-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
PubChem CID111095548
Molecular FormulaC17H32N4O
Molecular Weight308.47 g/mol
Exact Mass308.26
IUPAC NameN-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
SMILESN/C(=N\CCNC(=O)CC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C17H32N4O/c18-17(21-15-9-5-2-6-10-15)20-12-11-19-16(22)13-14-7-3-1-4-8-14/h14-15H,1-13H2,(H,19,22)(H3,18,20,21)
InChIKeyRXYUAGMCBZAFGX-UHFFFAOYSA-N
XLogP2.31
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.47
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

N-[2-[[amino-(propan-2-ylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095564
N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide
CID 62364503
3-[[amino-(cyclohexylamino)methylidene]amino]-N-propylpropanamide;hydroiodide
CID 110912583
2-cyclohexyl-N-[2-[[N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]acetamide
CID 111095546
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
N-[2-[[amino-(6-methylheptan-2-ylamino)methylidene]amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 111094891
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
CID 62364509
N-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]-2-cyclopentylacetamide;hydroiodide
CID 110958342
1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine
CID 62364518
N-[2-[[amino-(3-ethylanilino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095574
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042945
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide
CID 111075647

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide?
The IUPAC name of N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide (CID 111095548) is N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide.
What is the SMILES notation for N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide?
The canonical SMILES for N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide is N/C(=N\CCNC(=O)CC1CCCCC1)NC1CCCCC1.
What is the InChIKey of N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide?
The InChIKey is RXYUAGMCBZAFGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4O/c18-17(21-15-9-5-2-6-10-15)20-12-11-19-16(22)13-14-7-3-1-4-8-14/h14-15H,1-13H2,(H,19,22)(H3,18,20,21).
What are the key properties of N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide?
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide has a molecular weight of 308.47 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide is sourced from PubChem (CID 111095548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).