1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine

C13H30N4 — CID 55064096

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCCN(C(C)C)C(C)C
InChIInChI=1S/C13H30N4/c1-10(2)9-16-13(14)15-7-8-17(11(3)4)12(5)6/h10-12H,7-9H2,1-6H3,(H3,14,15,16)
InChIKeyCBPQLDZFKDURJZ-UHFFFAOYSA-N
MW242.41 g/mol
LogP1.67
Rot. Bonds7

About 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine

1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine (PubChem CID 55064096) has the molecular formula C13H30N4 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine
PubChem CID55064096
Molecular FormulaC13H30N4
Molecular Weight242.41 g/mol
Exact Mass242.25
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCCN(C(C)C)C(C)C
InChIInChI=1S/C13H30N4/c1-10(2)9-16-13(14)15-7-8-17(11(3)4)12(5)6/h10-12H,7-9H2,1-6H3,(H3,14,15,16)
InChIKeyCBPQLDZFKDURJZ-UHFFFAOYSA-N
XLogP1.67
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 51.67
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-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine (CID 55064096) is 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine is CC(C)C/N=C(\N)NCCN(C(C)C)C(C)C.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine?
The InChIKey is CBPQLDZFKDURJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4/c1-10(2)9-16-13(14)15-7-8-17(11(3)4)12(5)6/h10-12H,7-9H2,1-6H3,(H3,14,15,16).
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine?
1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine has a molecular weight of 242.41 g/mol, XLogP of 1.67, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 55064096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).