1-amino-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylguanidine

C9H23N5 — CID 104882110

IUPAC1-amino-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylguanidine
SMILESC/N=C(\NN)NC(CN(C)C)C(C)C
InChIInChI=1S/C9H23N5/c1-7(2)8(6-14(4)5)12-9(11-3)13-10/h7-8H,6,10H2,1-5H3,(H2,11,12,13)
InChIKeyMSBPDYAHGWCOSX-UHFFFAOYSA-N
MW201.32 g/mol
LogP-0.39
Rot. Bonds4

About 1-amino-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylguanidine

1-amino-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylguanidine (PubChem CID 104882110) has the molecular formula C9H23N5 and a molecular weight of 201.32 g/mol. Its IUPAC name is 1-amino-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylguanidine.

Molecular Properties

Compound Name1-amino-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylguanidine
PubChem CID104882110
Molecular FormulaC9H23N5
Molecular Weight201.32 g/mol
Exact Mass201.20
IUPAC Name1-amino-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylguanidine
SMILESC/N=C(\NN)NC(CN(C)C)C(C)C
InChIInChI=1S/C9H23N5/c1-7(2)8(6-14(4)5)12-9(11-3)13-10/h7-8H,6,10H2,1-5H3,(H2,11,12,13)
InChIKeyMSBPDYAHGWCOSX-UHFFFAOYSA-N
XLogP-0.39
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.32
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 1-amino-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylguanidine?
The IUPAC name of 1-amino-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylguanidine (CID 104882110) is 1-amino-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylguanidine.
What is the SMILES notation for 1-amino-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylguanidine?
The canonical SMILES for 1-amino-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylguanidine is C/N=C(\NN)NC(CN(C)C)C(C)C.
What is the InChIKey of 1-amino-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylguanidine?
The InChIKey is MSBPDYAHGWCOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H23N5/c1-7(2)8(6-14(4)5)12-9(11-3)13-10/h7-8H,6,10H2,1-5H3,(H2,11,12,13).
What are the key properties of 1-amino-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylguanidine?
1-amino-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylguanidine has a molecular weight of 201.32 g/mol, XLogP of -0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-[1-(dimethylamino)-3-methylbutan-2-yl]-2-methylguanidine is sourced from PubChem (CID 104882110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).