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

C11H23N5O — CID 104888724

IUPACN-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
SMILESCC(C)C/N=C(\NN)NCCNC(=O)C1CC1
InChIInChI=1S/C11H23N5O/c1-8(2)7-15-11(16-12)14-6-5-13-10(17)9-3-4-9/h8-9H,3-7,12H2,1-2H3,(H,13,17)(H2,14,15,16)
InChIKeyZUJDYFDREBNGJO-UHFFFAOYSA-N
MW241.34 g/mol
LogP-0.42
Rot. Bonds6

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

N-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide (PubChem CID 104888724) has the molecular formula C11H23N5O and a molecular weight of 241.34 g/mol. Its IUPAC name is N-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
PubChem CID104888724
Molecular FormulaC11H23N5O
Molecular Weight241.34 g/mol
Exact Mass241.19
IUPAC NameN-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
SMILESCC(C)C/N=C(\NN)NCCNC(=O)C1CC1
InChIInChI=1S/C11H23N5O/c1-8(2)7-15-11(16-12)14-6-5-13-10(17)9-3-4-9/h8-9H,3-7,12H2,1-2H3,(H,13,17)(H2,14,15,16)
InChIKeyZUJDYFDREBNGJO-UHFFFAOYSA-N
XLogP-0.42
TPSA91.54 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-amino-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine
CID 104882994
1-amino-3-butyl-2-(2-methylpropyl)guanidine
CID 104882833
ethyl N-[1-[[[2-(cyclopropanecarbonylamino)ethylamino]-(ethylamino)methylidene]amino]-4-methylpentan-2-yl]carbamate
CID 111928394
N-[2-[[N'-methyl-N-(4-methylpentyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111927132
N-[2-[[N-ethyl-N'-(3-methylbutyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 110977680
1-amino-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine
CID 104885195
1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine
CID 104888824
1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine
CID 104883067
N-[2-[(N-ethyl-N'-methylcarbamimidoyl)amino]ethyl]cyclopropanecarboxamide
CID 111927159
N-[2-[(2-amino-3-methylbutanoyl)amino]ethyl]cyclopropanecarboxamide;hydrochloride
CID 119270340
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]butanediamide
CID 113288241
N-[2-[[N'-methyl-N-(3,3,3-trifluoropropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111999419

Frequently Asked Questions

What is the IUPAC name of N-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide (CID 104888724) is N-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide is CC(C)C/N=C(\NN)NCCNC(=O)C1CC1.
What is the InChIKey of N-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
The InChIKey is ZUJDYFDREBNGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N5O/c1-8(2)7-15-11(16-12)14-6-5-13-10(17)9-3-4-9/h8-9H,3-7,12H2,1-2H3,(H,13,17)(H2,14,15,16).
What are the key properties of N-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide?
N-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide has a molecular weight of 241.34 g/mol, XLogP of -0.42, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 104888724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).