2-[2-[di(propan-2-yl)amino]ethyl]guanidine

C9H22N4 — CID 24838563

IUPAC2-[2-[di(propan-2-yl)amino]ethyl]guanidine
SMILESCC(C)N(CCN=C(N)N)C(C)C
InChIInChI=1S/C9H22N4/c1-7(2)13(8(3)4)6-5-12-9(10)11/h7-8H,5-6H2,1-4H3,(H4,10,11,12)
InChIKeyOIICKCREWPPFAF-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.38
Rot. Bonds5

About 2-[2-[di(propan-2-yl)amino]ethyl]guanidine

2-[2-[di(propan-2-yl)amino]ethyl]guanidine (PubChem CID 24838563) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-[2-[di(propan-2-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name2-[2-[di(propan-2-yl)amino]ethyl]guanidine
PubChem CID24838563
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name2-[2-[di(propan-2-yl)amino]ethyl]guanidine
SMILESCC(C)N(CCN=C(N)N)C(C)C
InChIInChI=1S/C9H22N4/c1-7(2)13(8(3)4)6-5-12-9(10)11/h7-8H,5-6H2,1-4H3,(H4,10,11,12)
InChIKeyOIICKCREWPPFAF-UHFFFAOYSA-N
XLogP0.38
TPSA67.64 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 ≤ 50.38
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]guanidine?
The IUPAC name of 2-[2-[di(propan-2-yl)amino]ethyl]guanidine (CID 24838563) is 2-[2-[di(propan-2-yl)amino]ethyl]guanidine.
What is the SMILES notation for 2-[2-[di(propan-2-yl)amino]ethyl]guanidine?
The canonical SMILES for 2-[2-[di(propan-2-yl)amino]ethyl]guanidine is CC(C)N(CCN=C(N)N)C(C)C.
What is the InChIKey of 2-[2-[di(propan-2-yl)amino]ethyl]guanidine?
The InChIKey is OIICKCREWPPFAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-7(2)13(8(3)4)6-5-12-9(10)11/h7-8H,5-6H2,1-4H3,(H4,10,11,12).
What are the key properties of 2-[2-[di(propan-2-yl)amino]ethyl]guanidine?
2-[2-[di(propan-2-yl)amino]ethyl]guanidine has a molecular weight of 186.30 g/mol, XLogP of 0.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[di(propan-2-yl)amino]ethyl]guanidine is sourced from PubChem (CID 24838563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).