1,2-bis(2-methylpropyl)guanidine

C9H21N3 — CID 23103989

IUPAC1,2-bis(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCC(C)C
InChIInChI=1S/C9H21N3/c1-7(2)5-11-9(10)12-6-8(3)4/h7-8H,5-6H2,1-4H3,(H3,10,11,12)
InChIKeyZIIKZJXCOZHVRV-UHFFFAOYSA-N
MW171.29 g/mol
LogP1.20
Rot. Bonds4

About 1,2-bis(2-methylpropyl)guanidine

1,2-bis(2-methylpropyl)guanidine (PubChem CID 23103989) has the molecular formula C9H21N3 and a molecular weight of 171.29 g/mol. Its IUPAC name is 1,2-bis(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1,2-bis(2-methylpropyl)guanidine
PubChem CID23103989
Molecular FormulaC9H21N3
Molecular Weight171.29 g/mol
Exact Mass171.17
IUPAC Name1,2-bis(2-methylpropyl)guanidine
SMILESCC(C)C/N=C(\N)NCC(C)C
InChIInChI=1S/C9H21N3/c1-7(2)5-11-9(10)12-6-8(3)4/h7-8H,5-6H2,1-4H3,(H3,10,11,12)
InChIKeyZIIKZJXCOZHVRV-UHFFFAOYSA-N
XLogP1.20
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-bis(2-methylpropyl)guanidine?
The IUPAC name of 1,2-bis(2-methylpropyl)guanidine (CID 23103989) is 1,2-bis(2-methylpropyl)guanidine.
What is the SMILES notation for 1,2-bis(2-methylpropyl)guanidine?
The canonical SMILES for 1,2-bis(2-methylpropyl)guanidine is CC(C)C/N=C(\N)NCC(C)C.
What is the InChIKey of 1,2-bis(2-methylpropyl)guanidine?
The InChIKey is ZIIKZJXCOZHVRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N3/c1-7(2)5-11-9(10)12-6-8(3)4/h7-8H,5-6H2,1-4H3,(H3,10,11,12).
What are the key properties of 1,2-bis(2-methylpropyl)guanidine?
1,2-bis(2-methylpropyl)guanidine has a molecular weight of 171.29 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(2-methylpropyl)guanidine is sourced from PubChem (CID 23103989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).