2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine

C8H21N5 — CID 77054054

IUPAC2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine
SMILESCCCN(CCN(C)C)C(N)=NN
InChIInChI=1S/C8H21N5/c1-4-5-13(8(9)11-10)7-6-12(2)3/h4-7,10H2,1-3H3,(H2,9,11)
InChIKeyWFQGRLFWJKNZBO-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.55
Rot. Bonds5

About 2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine

2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine (PubChem CID 77054054) has the molecular formula C8H21N5 and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine.

Molecular Properties

Compound Name2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine
PubChem CID77054054
Molecular FormulaC8H21N5
Molecular Weight187.29 g/mol
Exact Mass187.18
IUPAC Name2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine
SMILESCCCN(CCN(C)C)C(N)=NN
InChIInChI=1S/C8H21N5/c1-4-5-13(8(9)11-10)7-6-12(2)3/h4-7,10H2,1-3H3,(H2,9,11)
InChIKeyWFQGRLFWJKNZBO-UHFFFAOYSA-N
XLogP-0.55
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.55
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 2-amino-1-[2-(dimethylamino)ethyl]-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

Related Compounds

1-ethyl-1,2-dipropylguanidine
CID 62359189
2-hydroxy-1-(2-hydroxyethyl)-1-propylguanidine
CID 76944277
1-[2-(dimethylamino)ethyl]-1-(2-methylpropyl)-2-propylguanidine
CID 62363683
methyl N-[2-(dimethylamino)ethyl]-N-propylcarbamate
CID 115612493
2-amino-1-ethyl-1-(2-methylbutyl)guanidine
CID 79470408
2-cyclopropyl-1,1-dipropylguanidine
CID 62359563
N-[2-(dimethylamino)ethyl]-N-propylpropanimidamide
CID 63177323
2-amino-1-butan-2-yl-1-methylguanidine
CID 77053924
N-[2-(dimethylamino)ethyl]-4-(N'-hydroxycarbamimidoyl)-N-propylbenzamide
CID 76929707
1-amino-N-[2-(dimethylamino)ethyl]-N-propylcyclobutane-1-carboxamide
CID 81169609
2-(2-aminocyclohexyl)-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 62781778
2-[4-(aminomethyl)triazol-1-yl]-N-[2-(dimethylamino)ethyl]-N-propylacetamide
CID 115459734

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine?
The IUPAC name of 2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine (CID 77054054) is 2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine.
What is the SMILES notation for 2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine?
The canonical SMILES for 2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine is CCCN(CCN(C)C)C(N)=NN.
What is the InChIKey of 2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine?
The InChIKey is WFQGRLFWJKNZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N5/c1-4-5-13(8(9)11-10)7-6-12(2)3/h4-7,10H2,1-3H3,(H2,9,11).
What are the key properties of 2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine?
2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine has a molecular weight of 187.29 g/mol, XLogP of -0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(dimethylamino)ethyl]-1-propylguanidine is sourced from PubChem (CID 77054054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).