1-[2-(dimethylamino)ethyl]-2-propan-2-yl-1-propylguanidine

C11H26N4 — CID 62364571

IUPAC1-[2-(dimethylamino)ethyl]-2-propan-2-yl-1-propylguanidine
SMILESCCCN(CCN(C)C)/C(N)=N/C(C)C
InChIInChI=1S/C11H26N4/c1-6-7-15(9-8-14(4)5)11(12)13-10(2)3/h10H,6-9H2,1-5H3,(H2,12,13)
InChIKeyBPYCZCIKJKDKQT-UHFFFAOYSA-N
MW214.36 g/mol
LogP0.98
Rot. Bonds6

About 1-[2-(dimethylamino)ethyl]-2-propan-2-yl-1-propylguanidine

1-[2-(dimethylamino)ethyl]-2-propan-2-yl-1-propylguanidine (PubChem CID 62364571) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-2-propan-2-yl-1-propylguanidine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-2-propan-2-yl-1-propylguanidine
PubChem CID62364571
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name1-[2-(dimethylamino)ethyl]-2-propan-2-yl-1-propylguanidine
SMILESCCCN(CCN(C)C)/C(N)=N/C(C)C
InChIInChI=1S/C11H26N4/c1-6-7-15(9-8-14(4)5)11(12)13-10(2)3/h10H,6-9H2,1-5H3,(H2,12,13)
InChIKeyBPYCZCIKJKDKQT-UHFFFAOYSA-N
XLogP0.98
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[2-(dimethylamino)ethyl]-2-propan-2-yl-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 1-[2-(dimethylamino)ethyl]-2-propan-2-yl-1-propylguanidine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-2-propan-2-yl-1-propylguanidine (CID 62364571) is 1-[2-(dimethylamino)ethyl]-2-propan-2-yl-1-propylguanidine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-2-propan-2-yl-1-propylguanidine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-2-propan-2-yl-1-propylguanidine is CCCN(CCN(C)C)/C(N)=N/C(C)C.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-2-propan-2-yl-1-propylguanidine?
The InChIKey is BPYCZCIKJKDKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-6-7-15(9-8-14(4)5)11(12)13-10(2)3/h10H,6-9H2,1-5H3,(H2,12,13).
What are the key properties of 1-[2-(dimethylamino)ethyl]-2-propan-2-yl-1-propylguanidine?
1-[2-(dimethylamino)ethyl]-2-propan-2-yl-1-propylguanidine has a molecular weight of 214.36 g/mol, XLogP of 0.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-2-propan-2-yl-1-propylguanidine is sourced from PubChem (CID 62364571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).