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

C9H22N4 — CID 77053901

IUPAC2-amino-1,1-bis(2-methylpropyl)guanidine
SMILESCC(C)CN(CC(C)C)C(N)=NN
InChIInChI=1S/C9H22N4/c1-7(2)5-13(6-8(3)4)9(10)12-11/h7-8H,5-6,11H2,1-4H3,(H2,10,12)
InChIKeyWPBVUBCRMDQWMP-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.79
Rot. Bonds4

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

2-amino-1,1-bis(2-methylpropyl)guanidine (PubChem CID 77053901) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-amino-1,1-bis(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-amino-1,1-bis(2-methylpropyl)guanidine
PubChem CID77053901
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name2-amino-1,1-bis(2-methylpropyl)guanidine
SMILESCC(C)CN(CC(C)C)C(N)=NN
InChIInChI=1S/C9H22N4/c1-7(2)5-13(6-8(3)4)9(10)12-11/h7-8H,5-6,11H2,1-4H3,(H2,10,12)
InChIKeyWPBVUBCRMDQWMP-UHFFFAOYSA-N
XLogP0.79
TPSA67.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1-bis(2-methylpropyl)guanidine?
The IUPAC name of 2-amino-1,1-bis(2-methylpropyl)guanidine (CID 77053901) is 2-amino-1,1-bis(2-methylpropyl)guanidine.
What is the SMILES notation for 2-amino-1,1-bis(2-methylpropyl)guanidine?
The canonical SMILES for 2-amino-1,1-bis(2-methylpropyl)guanidine is CC(C)CN(CC(C)C)C(N)=NN.
What is the InChIKey of 2-amino-1,1-bis(2-methylpropyl)guanidine?
The InChIKey is WPBVUBCRMDQWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-7(2)5-13(6-8(3)4)9(10)12-11/h7-8H,5-6,11H2,1-4H3,(H2,10,12).
What are the key properties of 2-amino-1,1-bis(2-methylpropyl)guanidine?
2-amino-1,1-bis(2-methylpropyl)guanidine has a molecular weight of 186.30 g/mol, XLogP of 0.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1-bis(2-methylpropyl)guanidine is sourced from PubChem (CID 77053901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).