2-[2-(dipropylamino)ethyl]guanidine

C9H22N4 — CID 18643

IUPAC2-[2-(dipropylamino)ethyl]guanidine
SMILESCCCN(CCC)CCN=C(N)N
InChIInChI=1S/C9H22N4/c1-3-6-13(7-4-2)8-5-12-9(10)11/h3-8H2,1-2H3,(H4,10,11,12)
InChIKeyLBLQHWLSSRSMCB-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.38
Rot. Bonds7

About 2-[2-(dipropylamino)ethyl]guanidine

2-[2-(dipropylamino)ethyl]guanidine (PubChem CID 18643) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-[2-(dipropylamino)ethyl]guanidine.

Molecular Properties

Compound Name2-[2-(dipropylamino)ethyl]guanidine
PubChem CID18643
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name2-[2-(dipropylamino)ethyl]guanidine
SMILESCCCN(CCC)CCN=C(N)N
InChIInChI=1S/C9H22N4/c1-3-6-13(7-4-2)8-5-12-9(10)11/h3-8H2,1-2H3,(H4,10,11,12)
InChIKeyLBLQHWLSSRSMCB-UHFFFAOYSA-N
XLogP0.38
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.38
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

N-(3-Diethylamino-propyl)-guanidine
CID 3721391
N-[3-(4-Methyl-piperazin-1-yl)-propyl]-guanidine
CID 17965459
N-(2-Diethylamino-ethyl)-guanidine
CID 18645
2-(Diaminomethylideneamino)ethyl-trimethylazanium
CID 56290
1-(3-(Diethylamino)propyl)biguanide
CID 11971281
2-[2-[Methyl(2-methylpropyl)amino]ethyl]guanidine
CID 26504
2-[2-[Ethyl(propan-2-yl)amino]ethyl]guanidine
CID 26510
2-[2-[Propan-2-yl(propyl)amino]ethyl]guanidine
CID 26512
2-(Diaminomethylideneamino)ethyl-diethyl-methylazanium
CID 56359
4-(Diaminomethylideneamino)butyl-trimethylazanium
CID 56420
3-(Diaminomethylideneamino)propyl-diethyl-methylazanium
CID 56609
4-(Diaminomethylideneamino)butyl-diethyl-methylazanium
CID 56730

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dipropylamino)ethyl]guanidine?
The IUPAC name of 2-[2-(dipropylamino)ethyl]guanidine (CID 18643) is 2-[2-(dipropylamino)ethyl]guanidine.
What is the SMILES notation for 2-[2-(dipropylamino)ethyl]guanidine?
The canonical SMILES for 2-[2-(dipropylamino)ethyl]guanidine is CCCN(CCC)CCN=C(N)N.
What is the InChIKey of 2-[2-(dipropylamino)ethyl]guanidine?
The InChIKey is LBLQHWLSSRSMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-3-6-13(7-4-2)8-5-12-9(10)11/h3-8H2,1-2H3,(H4,10,11,12).
What are the key properties of 2-[2-(dipropylamino)ethyl]guanidine?
2-[2-(dipropylamino)ethyl]guanidine has a molecular weight of 186.30 g/mol, XLogP of 0.38, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dipropylamino)ethyl]guanidine is sourced from PubChem (CID 18643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).