2-[2-(diethylamino)propyl]-1-propylguanidine

C11H26N4 — CID 111055329

IUPAC2-[2-(diethylamino)propyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC(C)N(CC)CC
InChIInChI=1S/C11H26N4/c1-5-8-13-11(12)14-9-10(4)15(6-2)7-3/h10H,5-9H2,1-4H3,(H3,12,13,14)
InChIKeyIENDRLXKGXMKRQ-UHFFFAOYSA-N
MW214.36 g/mol
LogP1.03
Rot. Bonds7

About 2-[2-(diethylamino)propyl]-1-propylguanidine

2-[2-(diethylamino)propyl]-1-propylguanidine (PubChem CID 111055329) has the molecular formula C11H26N4 and a molecular weight of 214.36 g/mol. Its IUPAC name is 2-[2-(diethylamino)propyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[2-(diethylamino)propyl]-1-propylguanidine
PubChem CID111055329
Molecular FormulaC11H26N4
Molecular Weight214.36 g/mol
Exact Mass214.22
IUPAC Name2-[2-(diethylamino)propyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC(C)N(CC)CC
InChIInChI=1S/C11H26N4/c1-5-8-13-11(12)14-9-10(4)15(6-2)7-3/h10H,5-9H2,1-4H3,(H3,12,13,14)
InChIKeyIENDRLXKGXMKRQ-UHFFFAOYSA-N
XLogP1.03
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-butyl-2-[2-(diethylamino)-4-methylpentyl]guanidine
CID 111042443
2-[2-(2-chlorophenyl)-2-(diethylamino)ethyl]-1-propylguanidine
CID 111029196
2-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1-propylguanidine;hydroiodide
CID 111037503
1-[2-[butyl(methyl)amino]ethyl]-2-(2-methylpropyl)guanidine
CID 111802302
1-[2-[ethyl(propan-2-yl)amino]ethyl]-2-(3-methylbutyl)guanidine
CID 111096392
2-(2,2-dimethylpropyl)-1-propylguanidine
CID 62361794
2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine
CID 103742062
2-[2-methyl-3-(4-methylpiperazin-1-yl)propyl]-1-propylguanidine;hydroiodide
CID 111070313
2-[2-[cyclopropyl(methyl)amino]propyl]-1-hexylguanidine
CID 111099069
1-propyl-2-(2,2,4-trimethylpentyl)guanidine;hydroiodide
CID 111911367
1-butyl-2-[2-(N-methylanilino)propyl]guanidine
CID 111056401
2-[[amino(propylamino)methylidene]amino]acetic acid
CID 87703719

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)propyl]-1-propylguanidine?
The IUPAC name of 2-[2-(diethylamino)propyl]-1-propylguanidine (CID 111055329) is 2-[2-(diethylamino)propyl]-1-propylguanidine.
What is the SMILES notation for 2-[2-(diethylamino)propyl]-1-propylguanidine?
The canonical SMILES for 2-[2-(diethylamino)propyl]-1-propylguanidine is CCCN/C(N)=N/CC(C)N(CC)CC.
What is the InChIKey of 2-[2-(diethylamino)propyl]-1-propylguanidine?
The InChIKey is IENDRLXKGXMKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26N4/c1-5-8-13-11(12)14-9-10(4)15(6-2)7-3/h10H,5-9H2,1-4H3,(H3,12,13,14).
What are the key properties of 2-[2-(diethylamino)propyl]-1-propylguanidine?
2-[2-(diethylamino)propyl]-1-propylguanidine has a molecular weight of 214.36 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)propyl]-1-propylguanidine is sourced from PubChem (CID 111055329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).