N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide

C8H15N3O — CID 115612306

IUPACN-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide
SMILESC/C(N)=N\CCNC(=O)C1CC1
InChIInChI=1S/C8H15N3O/c1-6(9)10-4-5-11-8(12)7-2-3-7/h7H,2-5H2,1H3,(H2,9,10)(H,11,12)
InChIKeyVSCSIEUJDWPFBD-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.11
Rot. Bonds4

About N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide

N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide (PubChem CID 115612306) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide
PubChem CID115612306
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide
SMILESC/C(N)=N\CCNC(=O)C1CC1
InChIInChI=1S/C8H15N3O/c1-6(9)10-4-5-11-8(12)7-2-3-7/h7H,2-5H2,1H3,(H2,9,10)(H,11,12)
InChIKeyVSCSIEUJDWPFBD-UHFFFAOYSA-N
XLogP-0.11
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
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(diethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111030513
2-(1-aminoethylideneamino)ethylurea
CID 83118199
N-[2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 110988228
N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110913777
N-[2-[[amino-(4-ethylanilino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 111030532
N-[2-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111030516
methyl N-[2-(1-aminoethylideneamino)ethyl]carbamate
CID 88915683
1-[2-(1-aminoethylideneamino)ethyl]-3-methylurea
CID 130944218
N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
CID 111752274
N-[2-[[ethylamino-(3-methylbutan-2-ylamino)methylidene]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111001078
N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 110943948
N-[2-[(3-amino-2,2-dimethyl-3-sulfanylidenepropanoyl)amino]ethyl]cyclopropanecarboxamide
CID 113481378

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide (CID 115612306) is N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide is C/C(N)=N\CCNC(=O)C1CC1.
What is the InChIKey of N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide?
The InChIKey is VSCSIEUJDWPFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(9)10-4-5-11-8(12)7-2-3-7/h7H,2-5H2,1H3,(H2,9,10)(H,11,12).
What are the key properties of N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide?
N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide has a molecular weight of 169.23 g/mol, XLogP of -0.11, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115612306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).