1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine

C9H23N5 — CID 104885007

IUPAC1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine
SMILESCCCN/C(=N\CC(C)N(C)C)NN
InChIInChI=1S/C9H23N5/c1-5-6-11-9(13-10)12-7-8(2)14(3)4/h8H,5-7,10H2,1-4H3,(H2,11,12,13)
InChIKeyOBKOTYIQWBMPIG-UHFFFAOYSA-N
MW201.32 g/mol
LogP-0.24
Rot. Bonds5

About 1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine

1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine (PubChem CID 104885007) has the molecular formula C9H23N5 and a molecular weight of 201.32 g/mol. Its IUPAC name is 1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine.

Molecular Properties

Compound Name1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine
PubChem CID104885007
Molecular FormulaC9H23N5
Molecular Weight201.32 g/mol
Exact Mass201.20
IUPAC Name1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine
SMILESCCCN/C(=N\CC(C)N(C)C)NN
InChIInChI=1S/C9H23N5/c1-5-6-11-9(13-10)12-7-8(2)14(3)4/h8H,5-7,10H2,1-4H3,(H2,11,12,13)
InChIKeyOBKOTYIQWBMPIG-UHFFFAOYSA-N
XLogP-0.24
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 5-0.24
H-Bond Donors ≤ 53
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'}

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Related Compounds

1-amino-3-butyl-2-(2-methylpropyl)guanidine
CID 104882833
1-amino-2-(2-ethylhexyl)-3-propylguanidine
CID 107819395
1-amino-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine
CID 104882994
2-[[hydrazinyl(propylamino)methylidene]amino]-N-(2-methylpropyl)acetamide
CID 104888447
1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine
CID 104883067
1-amino-3-[2-(dimethylamino)ethyl]-2-propylguanidine
CID 104882857
1-amino-2-(2,3-dimethylbutyl)-3-ethylguanidine
CID 104886880
2-[2-(dimethylamino)propyl]-1-hydroxyguanidine
CID 62483535
1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine
CID 104888824
1-ethyl-2-(2-ethylbutyl)-3-propylguanidine;hydroiodide
CID 111778482
N'-[2-(dimethylamino)propyl]propanimidamide
CID 45088420
2-[2-(diethylamino)propyl]-1-propylguanidine
CID 111055329

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine?
The IUPAC name of 1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine (CID 104885007) is 1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine.
What is the SMILES notation for 1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine?
The canonical SMILES for 1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine is CCCN/C(=N\CC(C)N(C)C)NN.
What is the InChIKey of 1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine?
The InChIKey is OBKOTYIQWBMPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N5/c1-5-6-11-9(13-10)12-7-8(2)14(3)4/h8H,5-7,10H2,1-4H3,(H2,11,12,13).
What are the key properties of 1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine?
1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine has a molecular weight of 201.32 g/mol, XLogP of -0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-(dimethylamino)propyl]-3-propylguanidine is sourced from PubChem (CID 104885007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).