N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide

C10H20N4O — CID 62364503

IUPACN-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide
SMILESCC(=O)NCC/N=C(\N)NC1CCCC1
InChIInChI=1S/C10H20N4O/c1-8(15)12-6-7-13-10(11)14-9-4-2-3-5-9/h9H,2-7H2,1H3,(H,12,15)(H3,11,13,14)
InChIKeyPTVYAKNXUNPEEX-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.03
Rot. Bonds4

About N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide

N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide (PubChem CID 62364503) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide
PubChem CID62364503
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC NameN-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide
SMILESCC(=O)NCC/N=C(\N)NC1CCCC1
InChIInChI=1S/C10H20N4O/c1-8(15)12-6-7-13-10(11)14-9-4-2-3-5-9/h9H,2-7H2,1H3,(H,12,15)(H3,11,13,14)
InChIKeyPTVYAKNXUNPEEX-UHFFFAOYSA-N
XLogP-0.03
TPSA79.51 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.03
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-(cyclohexylamino)methylidene]amino]ethyl]-2-cyclohexylacetamide
CID 111095548
3-[[amino-(cyclopentylamino)methylidene]amino]propanamide
CID 62364509
1-cyclohexyl-2-[2-(methanesulfonamido)ethyl]guanidine
CID 62364518
3-[[amino-(cyclohexylamino)methylidene]amino]-N-propylpropanamide;hydroiodide
CID 110912583
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-4-chlorobenzamide;hydroiodide
CID 111042945
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide
CID 111075647
N-[2-[[amino-(cyclohexylamino)methylidene]amino]ethyl]-2-fluorobenzamide;hydroiodide
CID 111075646
2-[[amino-(cyclohexylamino)methylidene]amino]-N-ethylacetamide
CID 62364297
1-cyclohexyl-2-(3,3-dimethylbutyl)guanidine
CID 115612324
1-cyclopentyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 62367717
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclohexyl-2-octylguanidine
CID 113337391

Frequently Asked Questions

What is the IUPAC name of N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide (CID 62364503) is N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide is CC(=O)NCC/N=C(\N)NC1CCCC1.
What is the InChIKey of N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide?
The InChIKey is PTVYAKNXUNPEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c1-8(15)12-6-7-13-10(11)14-9-4-2-3-5-9/h9H,2-7H2,1H3,(H,12,15)(H3,11,13,14).
What are the key properties of N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide?
N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide has a molecular weight of 212.30 g/mol, XLogP of -0.03, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[amino-(cyclopentylamino)methylidene]amino]ethyl]acetamide is sourced from PubChem (CID 62364503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).