2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]guanidine

C8H21N5 — CID 88618067

IUPAC2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]guanidine
SMILESCN(C)CC(C)(C)CNN=C(N)N
InChIInChI=1S/C8H21N5/c1-8(2,6-13(3)4)5-11-12-7(9)10/h11H,5-6H2,1-4H3,(H4,9,10,12)
InChIKeyDHPBXZCGLGAMCM-UHFFFAOYSA-N
MW187.29 g/mol
LogP-0.65
Rot. Bonds5

About 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]guanidine

2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]guanidine (PubChem CID 88618067) has the molecular formula C8H21N5 and a molecular weight of 187.29 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]guanidine.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]guanidine
PubChem CID88618067
Molecular FormulaC8H21N5
Molecular Weight187.29 g/mol
Exact Mass187.18
IUPAC Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]guanidine
SMILESCN(C)CC(C)(C)CNN=C(N)N
InChIInChI=1S/C8H21N5/c1-8(2,6-13(3)4)5-11-12-7(9)10/h11H,5-6H2,1-4H3,(H4,9,10,12)
InChIKeyDHPBXZCGLGAMCM-UHFFFAOYSA-N
XLogP-0.65
TPSA79.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 5-0.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]guanidine?
The IUPAC name of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]guanidine (CID 88618067) is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]guanidine.
What is the SMILES notation for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]guanidine?
The canonical SMILES for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]guanidine is CN(C)CC(C)(C)CNN=C(N)N.
What is the InChIKey of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]guanidine?
The InChIKey is DHPBXZCGLGAMCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21N5/c1-8(2,6-13(3)4)5-11-12-7(9)10/h11H,5-6H2,1-4H3,(H4,9,10,12).
What are the key properties of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]guanidine?
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]guanidine has a molecular weight of 187.29 g/mol, XLogP of -0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]guanidine is sourced from PubChem (CID 88618067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).