N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide

C10H20N4O2 — CID 110913777

IUPACN-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
SMILESCOCC/N=C(\N)NCCNC(=O)C1CC1
InChIInChI=1S/C10H20N4O2/c1-16-7-6-14-10(11)13-5-4-12-9(15)8-2-3-8/h8H,2-7H2,1H3,(H,12,15)(H3,11,13,14)
InChIKeyBEOVSZKLAAONMT-UHFFFAOYSA-N
MW228.30 g/mol
LogP-0.94
Rot. Bonds7

About N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide

N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 110913777) has the molecular formula C10H20N4O2 and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID110913777
Molecular FormulaC10H20N4O2
Molecular Weight228.30 g/mol
Exact Mass228.16
IUPAC NameN-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
SMILESCOCC/N=C(\N)NCCNC(=O)C1CC1
InChIInChI=1S/C10H20N4O2/c1-16-7-6-14-10(11)13-5-4-12-9(15)8-2-3-8/h8H,2-7H2,1H3,(H,12,15)(H3,11,13,14)
InChIKeyBEOVSZKLAAONMT-UHFFFAOYSA-N
XLogP-0.94
TPSA88.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-[(N'-hexylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111030516
N-(3-methoxypropyl)cyclopropanecarboxamide
CID 5052597
N-[2-[[N-(2-methoxyethyl)-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 110940168
N-[2-(1-aminoethylideneamino)ethyl]cyclopropanecarboxamide
CID 115612306
2-[2-(2-methoxyethoxy)ethyl]-1-(2-methoxyethyl)guanidine
CID 110918294
N-[2-(3-methoxypropylcarbamothioylamino)ethyl]cyclopropanecarboxamide
CID 113218411
4-bromo-N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]benzamide
CID 138995545
N-[3-[(N'-propylcarbamimidoyl)amino]propyl]cyclobutanecarboxamide
CID 111752274
N-[2-[[N-[3-(2-methoxyethoxy)propyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111406361
N-[2-[[N'-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111927563
N-[2-(2-methoxyethylamino)ethyl]cycloheptanecarboxamide
CID 82994613
1-(2-tert-butylsulfinylethyl)-2-(2-methoxyethyl)guanidine
CID 111424463

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide (CID 110913777) is N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide is COCC/N=C(\N)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is BEOVSZKLAAONMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2/c1-16-7-6-14-10(11)13-5-4-12-9(15)8-2-3-8/h8H,2-7H2,1H3,(H,12,15)(H3,11,13,14).
What are the key properties of N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 228.30 g/mol, XLogP of -0.94, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N'-(2-methoxyethyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 110913777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).