1-[1-(diethylamino)propan-2-yl]-2-methylguanidine

C9H22N4 — CID 62360443

IUPAC1-[1-(diethylamino)propan-2-yl]-2-methylguanidine
SMILESCCN(CC)CC(C)N/C(N)=N/C
InChIInChI=1S/C9H22N4/c1-5-13(6-2)7-8(3)12-9(10)11-4/h8H,5-7H2,1-4H3,(H3,10,11,12)
InChIKeyDVGXFLNSMMFGCO-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.25
Rot. Bonds5

About 1-[1-(diethylamino)propan-2-yl]-2-methylguanidine

1-[1-(diethylamino)propan-2-yl]-2-methylguanidine (PubChem CID 62360443) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 1-[1-(diethylamino)propan-2-yl]-2-methylguanidine.

Molecular Properties

Compound Name1-[1-(diethylamino)propan-2-yl]-2-methylguanidine
PubChem CID62360443
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name1-[1-(diethylamino)propan-2-yl]-2-methylguanidine
SMILESCCN(CC)CC(C)N/C(N)=N/C
InChIInChI=1S/C9H22N4/c1-5-13(6-2)7-8(3)12-9(10)11-4/h8H,5-7H2,1-4H3,(H3,10,11,12)
InChIKeyDVGXFLNSMMFGCO-UHFFFAOYSA-N
XLogP0.25
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.25
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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Frequently Asked Questions

What is the IUPAC name of 1-[1-(diethylamino)propan-2-yl]-2-methylguanidine?
The IUPAC name of 1-[1-(diethylamino)propan-2-yl]-2-methylguanidine (CID 62360443) is 1-[1-(diethylamino)propan-2-yl]-2-methylguanidine.
What is the SMILES notation for 1-[1-(diethylamino)propan-2-yl]-2-methylguanidine?
The canonical SMILES for 1-[1-(diethylamino)propan-2-yl]-2-methylguanidine is CCN(CC)CC(C)N/C(N)=N/C.
What is the InChIKey of 1-[1-(diethylamino)propan-2-yl]-2-methylguanidine?
The InChIKey is DVGXFLNSMMFGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-5-13(6-2)7-8(3)12-9(10)11-4/h8H,5-7H2,1-4H3,(H3,10,11,12).
What are the key properties of 1-[1-(diethylamino)propan-2-yl]-2-methylguanidine?
1-[1-(diethylamino)propan-2-yl]-2-methylguanidine has a molecular weight of 186.30 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(diethylamino)propan-2-yl]-2-methylguanidine is sourced from PubChem (CID 62360443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).