N-amino-N'-(2-methoxyethyl)butanimidamide

C7H17N3O — CID 62544957

IUPACN-amino-N'-(2-methoxyethyl)butanimidamide
SMILESCCC/C(=N\CCOC)NN
InChIInChI=1S/C7H17N3O/c1-3-4-7(10-8)9-5-6-11-2/h3-6,8H2,1-2H3,(H,9,10)
InChIKeyKBRMBNJDHPDMLJ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.29
Rot. Bonds5

About N-amino-N'-(2-methoxyethyl)butanimidamide

N-amino-N'-(2-methoxyethyl)butanimidamide (PubChem CID 62544957) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is N-amino-N'-(2-methoxyethyl)butanimidamide.

Molecular Properties

Compound NameN-amino-N'-(2-methoxyethyl)butanimidamide
PubChem CID62544957
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC NameN-amino-N'-(2-methoxyethyl)butanimidamide
SMILESCCC/C(=N\CCOC)NN
InChIInChI=1S/C7H17N3O/c1-3-4-7(10-8)9-5-6-11-2/h3-6,8H2,1-2H3,(H,9,10)
InChIKeyKBRMBNJDHPDMLJ-UHFFFAOYSA-N
XLogP0.29
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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

N-amino-N'-(2-methoxyethyl)-3,3-dimethylbutanimidamide
CID 62543671
N-amino-2-(4-bromophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 62542669
N-amino-N'-(2-methoxyethyl)-2,2-dimethylpropanimidamide
CID 62544152
N-amino-N'-(2-methoxyethyl)-2-(4-methoxyphenyl)ethanimidamide
CID 62544954
1-hydroxy-2-(2-methoxyethyl)guanidine
CID 62482674
N-amino-N'-propyldecanimidamide
CID 65427177
3-amino-1,1,2-tris(2-methoxyethyl)guanidine
CID 104885360
3-amino-2-(2-methoxyethyl)-1-methyl-1-pentylguanidine
CID 104883678
N-amino-2-(3-fluorophenyl)-N'-(2-methoxyethyl)ethanimidamide
CID 62542673
3-[[N-amino-N'-(2-methoxyethyl)carbamimidoyl]amino]propanamide
CID 104883842
1-amino-3-(3-ethylpentan-2-yl)-2-(2-methoxyethyl)guanidine
CID 104886038
3-amino-1-(2-ethoxyethyl)-2-(2-methoxyethyl)-1-methylguanidine
CID 104887493

Frequently Asked Questions

What is the IUPAC name of N-amino-N'-(2-methoxyethyl)butanimidamide?
The IUPAC name of N-amino-N'-(2-methoxyethyl)butanimidamide (CID 62544957) is N-amino-N'-(2-methoxyethyl)butanimidamide.
What is the SMILES notation for N-amino-N'-(2-methoxyethyl)butanimidamide?
The canonical SMILES for N-amino-N'-(2-methoxyethyl)butanimidamide is CCC/C(=N\CCOC)NN.
What is the InChIKey of N-amino-N'-(2-methoxyethyl)butanimidamide?
The InChIKey is KBRMBNJDHPDMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-3-4-7(10-8)9-5-6-11-2/h3-6,8H2,1-2H3,(H,9,10).
What are the key properties of N-amino-N'-(2-methoxyethyl)butanimidamide?
N-amino-N'-(2-methoxyethyl)butanimidamide has a molecular weight of 159.23 g/mol, XLogP of 0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(2-methoxyethyl)butanimidamide is sourced from PubChem (CID 62544957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).