N-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide

C14H24N6O — CID 111927137

IUPACN-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
SMILESCCN/C(=N\CCNC(=O)C1CC1)NCCn1ccnc1
InChIInChI=1S/C14H24N6O/c1-2-16-14(19-8-10-20-9-7-15-11-20)18-6-5-17-13(21)12-3-4-12/h7,9,11-12H,2-6,8,10H2,1H3,(H,17,21)(H2,16,18,19)
InChIKeyXRHGZFVBVGYOSJ-UHFFFAOYSA-N
MW292.39 g/mol
LogP-0.04
Rot. Bonds8

About N-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide

N-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide (PubChem CID 111927137) has the molecular formula C14H24N6O and a molecular weight of 292.39 g/mol. Its IUPAC name is N-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
PubChem CID111927137
Molecular FormulaC14H24N6O
Molecular Weight292.39 g/mol
Exact Mass292.20
IUPAC NameN-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
SMILESCCN/C(=N\CCNC(=O)C1CC1)NCCn1ccnc1
InChIInChI=1S/C14H24N6O/c1-2-16-14(19-8-10-20-9-7-15-11-20)18-6-5-17-13(21)12-3-4-12/h7,9,11-12H,2-6,8,10H2,1H3,(H,17,21)(H2,16,18,19)
InChIKeyXRHGZFVBVGYOSJ-UHFFFAOYSA-N
XLogP-0.04
TPSA83.34 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 5-0.04
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

1-ethyl-2-hexyl-3-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 111160602
tert-butyl N-[3-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]propyl]carbamate;hydroiodide
CID 111886454
1-ethyl-3-(2-imidazol-1-ylethyl)-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110975814
1-ethyl-3-(3-imidazol-1-ylpropyl)-2-propylguanidine
CID 111228481
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine
CID 110991931
1-ethyl-3-(2-imidazol-1-ylethyl)-2-[3-(2-methylpropoxy)propyl]guanidine;hydroiodide
CID 111401338
1-cyclopentyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110991930
1-ethyl-3-(2-imidazol-1-ylethyl)-2-[3-(2-oxopyrrolidin-1-yl)propyl]guanidine;hydroiodide
CID 111146272
1-cyclohexyl-3-ethyl-2-(2-imidazol-1-ylethyl)guanidine;hydroiodide
CID 110958682
2-(3,3-diphenylpropyl)-1-ethyl-3-(2-imidazol-1-ylethyl)guanidine
CID 111233809
1-[3-(cyclopropylmethoxy)propyl]-3-ethyl-2-(3-imidazol-1-ylpropyl)guanidine
CID 111393055
1-ethyl-3-(3-imidazol-1-ylpropyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111928579

Frequently Asked Questions

What is the IUPAC name of N-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide (CID 111927137) is N-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide is CCN/C(=N\CCNC(=O)C1CC1)NCCn1ccnc1.
What is the InChIKey of N-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is XRHGZFVBVGYOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O/c1-2-16-14(19-8-10-20-9-7-15-11-20)18-6-5-17-13(21)12-3-4-12/h7,9,11-12H,2-6,8,10H2,1H3,(H,17,21)(H2,16,18,19).
What are the key properties of N-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 292.39 g/mol, XLogP of -0.04, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[ethylamino-(2-imidazol-1-ylethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 111927137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).