N-amino-N'-cyclopropyl-1-propan-2-ylcyclopropane-1-carboximidamide

C10H19N3 — CID 164661146

IUPACN-amino-N'-cyclopropyl-1-propan-2-ylcyclopropane-1-carboximidamide
SMILESCC(C)C1(/C(=N/C2CC2)NN)CC1
InChIInChI=1S/C10H19N3/c1-7(2)10(5-6-10)9(13-11)12-8-3-4-8/h7-8H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyLSYROESMHZDJSS-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.45
Rot. Bonds3

About N-amino-N'-cyclopropyl-1-propan-2-ylcyclopropane-1-carboximidamide

N-amino-N'-cyclopropyl-1-propan-2-ylcyclopropane-1-carboximidamide (PubChem CID 164661146) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-amino-N'-cyclopropyl-1-propan-2-ylcyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-cyclopropyl-1-propan-2-ylcyclopropane-1-carboximidamide
PubChem CID164661146
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-amino-N'-cyclopropyl-1-propan-2-ylcyclopropane-1-carboximidamide
SMILESCC(C)C1(/C(=N/C2CC2)NN)CC1
InChIInChI=1S/C10H19N3/c1-7(2)10(5-6-10)9(13-11)12-8-3-4-8/h7-8H,3-6,11H2,1-2H3,(H,12,13)
InChIKeyLSYROESMHZDJSS-UHFFFAOYSA-N
XLogP1.45
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-cyclopropyl-1-propan-2-ylcyclopropane-1-carboximidamide?
The IUPAC name of N-amino-N'-cyclopropyl-1-propan-2-ylcyclopropane-1-carboximidamide (CID 164661146) is N-amino-N'-cyclopropyl-1-propan-2-ylcyclopropane-1-carboximidamide.
What is the SMILES notation for N-amino-N'-cyclopropyl-1-propan-2-ylcyclopropane-1-carboximidamide?
The canonical SMILES for N-amino-N'-cyclopropyl-1-propan-2-ylcyclopropane-1-carboximidamide is CC(C)C1(/C(=N/C2CC2)NN)CC1.
What is the InChIKey of N-amino-N'-cyclopropyl-1-propan-2-ylcyclopropane-1-carboximidamide?
The InChIKey is LSYROESMHZDJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-7(2)10(5-6-10)9(13-11)12-8-3-4-8/h7-8H,3-6,11H2,1-2H3,(H,12,13).
What are the key properties of N-amino-N'-cyclopropyl-1-propan-2-ylcyclopropane-1-carboximidamide?
N-amino-N'-cyclopropyl-1-propan-2-ylcyclopropane-1-carboximidamide has a molecular weight of 181.28 g/mol, XLogP of 1.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-cyclopropyl-1-propan-2-ylcyclopropane-1-carboximidamide is sourced from PubChem (CID 164661146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).