3-amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine

C9H22N4O — CID 104882133

IUPAC3-amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine
SMILESCCC(C)N(CCOC)/C(=N/C)NN
InChIInChI=1S/C9H22N4O/c1-5-8(2)13(6-7-14-4)9(11-3)12-10/h8H,5-7,10H2,1-4H3,(H,11,12)
InChIKeyZMAZSCOBAQPMPB-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.18
Rot. Bonds5

About 3-amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine

3-amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine (PubChem CID 104882133) has the molecular formula C9H22N4O and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine.

Molecular Properties

Compound Name3-amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine
PubChem CID104882133
Molecular FormulaC9H22N4O
Molecular Weight202.30 g/mol
Exact Mass202.18
IUPAC Name3-amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine
SMILESCCC(C)N(CCOC)/C(=N/C)NN
InChIInChI=1S/C9H22N4O/c1-5-8(2)13(6-7-14-4)9(11-3)12-10/h8H,5-7,10H2,1-4H3,(H,11,12)
InChIKeyZMAZSCOBAQPMPB-UHFFFAOYSA-N
XLogP0.18
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.18
H-Bond Donors ≤ 52
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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Related Compounds

3-Amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884155
3-Amino-2-(1-methoxypropan-2-yl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884422
3-Amino-1-ethyl-2-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884431
3-Amino-1-cyclopropyl-2-(1-methoxypropan-2-yl)-1-(2,2,2-trifluoroethyl)guanidine
CID 104884453
3-Amino-2-(1-methoxypropan-2-yl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 104884474
3-Amino-2-(1-methoxypropan-2-yl)-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887036
3-Amino-2-(2-methoxyethyl)-1-methyl-1-(3,3,3-trifluoropropyl)guanidine
CID 104887045
3-Amino-1-(2,2-difluoroethyl)-2-(1-methoxypropan-2-yl)-1-methylguanidine
CID 104888973
3-Amino-2-(2-methoxyethyl)-1-propan-2-yl-1-(2,2,2-trifluoroethyl)guanidine
CID 113530245
3-Amino-1-cyclopropyl-2-(2-methoxyethyl)-1-(2,2,2-trifluoroethyl)guanidine
CID 113530251
3-Amino-2-(2-methoxyethyl)-1-propyl-1-(2,2,2-trifluoroethyl)guanidine
CID 113530263
1-Butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine
CID 62358412

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine?
The IUPAC name of 3-amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine (CID 104882133) is 3-amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine.
What is the SMILES notation for 3-amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine?
The canonical SMILES for 3-amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine is CCC(C)N(CCOC)/C(=N/C)NN.
What is the InChIKey of 3-amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine?
The InChIKey is ZMAZSCOBAQPMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N4O/c1-5-8(2)13(6-7-14-4)9(11-3)12-10/h8H,5-7,10H2,1-4H3,(H,11,12).
What are the key properties of 3-amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine?
3-amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine has a molecular weight of 202.30 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-butan-2-yl-1-(2-methoxyethyl)-2-methylguanidine is sourced from PubChem (CID 104882133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).