N-amino-3-cyclopentyl-N'-propan-2-ylpropanimidamide

C11H23N3 — CID 61362883

IUPACN-amino-3-cyclopentyl-N'-propan-2-ylpropanimidamide
SMILESCC(C)/N=C(/CCC1CCCC1)NN
InChIInChI=1S/C11H23N3/c1-9(2)13-11(14-12)8-7-10-5-3-4-6-10/h9-10H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyGWWXWQRBQJNCQG-UHFFFAOYSA-N
MW197.33 g/mol
LogP2.23
Rot. Bonds4

About N-amino-3-cyclopentyl-N'-propan-2-ylpropanimidamide

N-amino-3-cyclopentyl-N'-propan-2-ylpropanimidamide (PubChem CID 61362883) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N-amino-3-cyclopentyl-N'-propan-2-ylpropanimidamide.

Molecular Properties

Compound NameN-amino-3-cyclopentyl-N'-propan-2-ylpropanimidamide
PubChem CID61362883
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN-amino-3-cyclopentyl-N'-propan-2-ylpropanimidamide
SMILESCC(C)/N=C(/CCC1CCCC1)NN
InChIInChI=1S/C11H23N3/c1-9(2)13-11(14-12)8-7-10-5-3-4-6-10/h9-10H,3-8,12H2,1-2H3,(H,13,14)
InChIKeyGWWXWQRBQJNCQG-UHFFFAOYSA-N
XLogP2.23
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.23
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'}

Analyze N-amino-3-cyclopentyl-N'-propan-2-ylpropanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-amino-3-cyclopentyl-N'-propan-2-ylpropanimidamide?
The IUPAC name of N-amino-3-cyclopentyl-N'-propan-2-ylpropanimidamide (CID 61362883) is N-amino-3-cyclopentyl-N'-propan-2-ylpropanimidamide.
What is the SMILES notation for N-amino-3-cyclopentyl-N'-propan-2-ylpropanimidamide?
The canonical SMILES for N-amino-3-cyclopentyl-N'-propan-2-ylpropanimidamide is CC(C)/N=C(/CCC1CCCC1)NN.
What is the InChIKey of N-amino-3-cyclopentyl-N'-propan-2-ylpropanimidamide?
The InChIKey is GWWXWQRBQJNCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-9(2)13-11(14-12)8-7-10-5-3-4-6-10/h9-10H,3-8,12H2,1-2H3,(H,13,14).
What are the key properties of N-amino-3-cyclopentyl-N'-propan-2-ylpropanimidamide?
N-amino-3-cyclopentyl-N'-propan-2-ylpropanimidamide has a molecular weight of 197.33 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-3-cyclopentyl-N'-propan-2-ylpropanimidamide is sourced from PubChem (CID 61362883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).