3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine

C14H33N5 — CID 102999148

IUPAC3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine
SMILESCCN(CC)CCCN(CC)/C(=N\CC(C)C)NN
InChIInChI=1S/C14H33N5/c1-6-18(7-2)10-9-11-19(8-3)14(17-15)16-12-13(4)5/h13H,6-12,15H2,1-5H3,(H,16,17)
InChIKeyQZDJDGQKSQWYBK-UHFFFAOYSA-N
MW271.45 g/mol
LogP1.52
Rot. Bonds9

About 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine

3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine (PubChem CID 102999148) has the molecular formula C14H33N5 and a molecular weight of 271.45 g/mol. Its IUPAC name is 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine
PubChem CID102999148
Molecular FormulaC14H33N5
Molecular Weight271.45 g/mol
Exact Mass271.27
IUPAC Name3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine
SMILESCCN(CC)CCCN(CC)/C(=N\CC(C)C)NN
InChIInChI=1S/C14H33N5/c1-6-18(7-2)10-9-11-19(8-3)14(17-15)16-12-13(4)5/h13H,6-12,15H2,1-5H3,(H,16,17)
InChIKeyQZDJDGQKSQWYBK-UHFFFAOYSA-N
XLogP1.52
TPSA56.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 51.52
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-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine 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-1-ethyl-2-(2-methylpropyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884439
3-Amino-2-(2-methylpropyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884482
3-Amino-1-methyl-2-(2-methylpropyl)-1-(3,3,3-trifluoropropyl)guanidine
CID 104887043
1-[3-(Diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine
CID 102994215
3-Amino-1-[3-(dimethylamino)propyl]-1,2-diethylguanidine
CID 102999136
3-Amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-methylguanidine
CID 102999139
3-Amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propylguanidine
CID 102999141
3-Amino-2-cyclopropyl-1-[3-(dimethylamino)propyl]-1-ethylguanidine
CID 102999142
3-Amino-1-[3-(dimethylamino)propyl]-1-ethyl-2-propan-2-ylguanidine
CID 102999144
3-Amino-1-[3-(diethylamino)propyl]-1-ethyl-2-methylguanidine
CID 102999150
3-Amino-1-[3-(diethylamino)propyl]-1-ethyl-2-propylguanidine
CID 102999152
3-Amino-2-cyclopropyl-1-[3-(diethylamino)propyl]-1-ethylguanidine
CID 102999153

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine?
The IUPAC name of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine (CID 102999148) is 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine?
The canonical SMILES for 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine is CCN(CC)CCCN(CC)/C(=N\CC(C)C)NN.
What is the InChIKey of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine?
The InChIKey is QZDJDGQKSQWYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H33N5/c1-6-18(7-2)10-9-11-19(8-3)14(17-15)16-12-13(4)5/h13H,6-12,15H2,1-5H3,(H,16,17).
What are the key properties of 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine?
3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine has a molecular weight of 271.45 g/mol, XLogP of 1.52, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[3-(diethylamino)propyl]-1-ethyl-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 102999148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).