2-(3-amino-2-methylpropyl)-1,1,3,3-tetramethylguanidine

C9H22N4 — CID 102125400

IUPAC2-(3-amino-2-methylpropyl)-1,1,3,3-tetramethylguanidine
SMILESCC(CN)CN=C(N(C)C)N(C)C
InChIInChI=1S/C9H22N4/c1-8(6-10)7-11-9(12(2)3)13(4)5/h8H,6-7,10H2,1-5H3
InChIKeyPCCDYUCFEAABQP-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.06
Rot. Bonds3

About 2-(3-amino-2-methylpropyl)-1,1,3,3-tetramethylguanidine

2-(3-amino-2-methylpropyl)-1,1,3,3-tetramethylguanidine (PubChem CID 102125400) has the molecular formula C9H22N4 and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-(3-amino-2-methylpropyl)-1,1,3,3-tetramethylguanidine.

Molecular Properties

Compound Name2-(3-amino-2-methylpropyl)-1,1,3,3-tetramethylguanidine
PubChem CID102125400
Molecular FormulaC9H22N4
Molecular Weight186.30 g/mol
Exact Mass186.18
IUPAC Name2-(3-amino-2-methylpropyl)-1,1,3,3-tetramethylguanidine
SMILESCC(CN)CN=C(N(C)C)N(C)C
InChIInChI=1S/C9H22N4/c1-8(6-10)7-11-9(12(2)3)13(4)5/h8H,6-7,10H2,1-5H3
InChIKeyPCCDYUCFEAABQP-UHFFFAOYSA-N
XLogP0.06
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.06
H-Bond Donors ≤ 51
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-(3-amino-2-methylpropyl)-1,1,3,3-tetramethylguanidine?
The IUPAC name of 2-(3-amino-2-methylpropyl)-1,1,3,3-tetramethylguanidine (CID 102125400) is 2-(3-amino-2-methylpropyl)-1,1,3,3-tetramethylguanidine.
What is the SMILES notation for 2-(3-amino-2-methylpropyl)-1,1,3,3-tetramethylguanidine?
The canonical SMILES for 2-(3-amino-2-methylpropyl)-1,1,3,3-tetramethylguanidine is CC(CN)CN=C(N(C)C)N(C)C.
What is the InChIKey of 2-(3-amino-2-methylpropyl)-1,1,3,3-tetramethylguanidine?
The InChIKey is PCCDYUCFEAABQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4/c1-8(6-10)7-11-9(12(2)3)13(4)5/h8H,6-7,10H2,1-5H3.
What are the key properties of 2-(3-amino-2-methylpropyl)-1,1,3,3-tetramethylguanidine?
2-(3-amino-2-methylpropyl)-1,1,3,3-tetramethylguanidine has a molecular weight of 186.30 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-2-methylpropyl)-1,1,3,3-tetramethylguanidine is sourced from PubChem (CID 102125400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).