3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine

C11H27N5 — CID 102999144

IUPAC3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine
SMILESCCN(CCCN(C)C)/C(=N\C(C)C)NN
InChIInChI=1S/C11H27N5/c1-6-16(9-7-8-15(4)5)11(14-12)13-10(2)3/h10H,6-9,12H2,1-5H3,(H,13,14)
InChIKeyIMXWTTHKCSWVCF-UHFFFAOYSA-N
MW229.37 g/mol
LogP0.49
Rot. Bonds6

About 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine

3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine (PubChem CID 102999144) has the molecular formula C11H27N5 and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine.

Molecular Properties

Compound Name3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine
PubChem CID102999144
Molecular FormulaC11H27N5
Molecular Weight229.37 g/mol
Exact Mass229.23
IUPAC Name3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine
SMILESCCN(CCCN(C)C)/C(=N\C(C)C)NN
InChIInChI=1S/C11H27N5/c1-6-16(9-7-8-15(4)5)11(14-12)13-10(2)3/h10H,6-9,12H2,1-5H3,(H,13,14)
InChIKeyIMXWTTHKCSWVCF-UHFFFAOYSA-N
XLogP0.49
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine with MolForge

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

Launch Full Analysis

Related Compounds

3-Amino-2-ethyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884424
3-Amino-1-propan-2-yl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884425
3-Amino-1,2-di(propan-2-yl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884428
3-Amino-1-ethyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884438
3-Amino-1-cyclopropyl-2-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884457
3-Amino-1-cyclopropyl-2-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884460
3-Amino-2-ethyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884477
3-Amino-1,2-dipropyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884478
3-Amino-2-propan-2-yl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884481
3-Amino-2-cyclopropyl-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884483
3-Amino-1-methyl-2-propan-2-yl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887042
3-Amino-2-butyl-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 113530243

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine?
The IUPAC name of 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine (CID 102999144) is 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine.
What is the SMILES notation for 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine?
The canonical SMILES for 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine is CCN(CCCN(C)C)/C(=N\C(C)C)NN.
What is the InChIKey of 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine?
The InChIKey is IMXWTTHKCSWVCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H27N5/c1-6-16(9-7-8-15(4)5)11(14-12)13-10(2)3/h10H,6-9,12H2,1-5H3,(H,13,14).
What are the key properties of 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine?
3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine has a molecular weight of 229.37 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine is sourced from PubChem (CID 102999144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).