2-cyclopropyl-1-(cyclopropylmethyl)-1-propylguanidine

C11H21N3 — CID 62363006

IUPAC2-cyclopropyl-1-(cyclopropylmethyl)-1-propylguanidine
SMILESCCCN(CC1CC1)/C(N)=N/C1CC1
InChIInChI=1S/C11H21N3/c1-2-7-14(8-9-3-4-9)11(12)13-10-5-6-10/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyRQPTXPBUWTYVJU-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.59
Rot. Bonds5

About 2-cyclopropyl-1-(cyclopropylmethyl)-1-propylguanidine

2-cyclopropyl-1-(cyclopropylmethyl)-1-propylguanidine (PubChem CID 62363006) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-cyclopropyl-1-(cyclopropylmethyl)-1-propylguanidine.

Molecular Properties

Compound Name2-cyclopropyl-1-(cyclopropylmethyl)-1-propylguanidine
PubChem CID62363006
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-cyclopropyl-1-(cyclopropylmethyl)-1-propylguanidine
SMILESCCCN(CC1CC1)/C(N)=N/C1CC1
InChIInChI=1S/C11H21N3/c1-2-7-14(8-9-3-4-9)11(12)13-10-5-6-10/h9-10H,2-8H2,1H3,(H2,12,13)
InChIKeyRQPTXPBUWTYVJU-UHFFFAOYSA-N
XLogP1.59
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-cyclopropyl-1-(cyclopropylmethyl)-1-propylguanidine 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 2-cyclopropyl-1-(cyclopropylmethyl)-1-propylguanidine?
The IUPAC name of 2-cyclopropyl-1-(cyclopropylmethyl)-1-propylguanidine (CID 62363006) is 2-cyclopropyl-1-(cyclopropylmethyl)-1-propylguanidine.
What is the SMILES notation for 2-cyclopropyl-1-(cyclopropylmethyl)-1-propylguanidine?
The canonical SMILES for 2-cyclopropyl-1-(cyclopropylmethyl)-1-propylguanidine is CCCN(CC1CC1)/C(N)=N/C1CC1.
What is the InChIKey of 2-cyclopropyl-1-(cyclopropylmethyl)-1-propylguanidine?
The InChIKey is RQPTXPBUWTYVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-7-14(8-9-3-4-9)11(12)13-10-5-6-10/h9-10H,2-8H2,1H3,(H2,12,13).
What are the key properties of 2-cyclopropyl-1-(cyclopropylmethyl)-1-propylguanidine?
2-cyclopropyl-1-(cyclopropylmethyl)-1-propylguanidine has a molecular weight of 195.31 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-1-(cyclopropylmethyl)-1-propylguanidine is sourced from PubChem (CID 62363006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).