1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine

C10H24N4O — CID 104888824

IUPAC1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine
SMILESCC(C)C/N=C(/NN)NCCOC(C)C
InChIInChI=1S/C10H24N4O/c1-8(2)7-13-10(14-11)12-5-6-15-9(3)4/h8-9H,5-7,11H2,1-4H3,(H2,12,13,14)
InChIKeyFUYNSKLVFJCDPP-UHFFFAOYSA-N
MW216.33 g/mol
LogP0.48
Rot. Bonds6

About 1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine

1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine (PubChem CID 104888824) has the molecular formula C10H24N4O and a molecular weight of 216.33 g/mol. Its IUPAC name is 1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine.

Molecular Properties

Compound Name1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine
PubChem CID104888824
Molecular FormulaC10H24N4O
Molecular Weight216.33 g/mol
Exact Mass216.20
IUPAC Name1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine
SMILESCC(C)C/N=C(/NN)NCCOC(C)C
InChIInChI=1S/C10H24N4O/c1-8(2)7-13-10(14-11)12-5-6-15-9(3)4/h8-9H,5-7,11H2,1-4H3,(H2,12,13,14)
InChIKeyFUYNSKLVFJCDPP-UHFFFAOYSA-N
XLogP0.48
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 50.48
H-Bond Donors ≤ 53
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

1-amino-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine
CID 104882994
1-amino-3-butyl-2-(2-methylpropyl)guanidine
CID 104882833
1-amino-3-[3-(diethylamino)propyl]-2-(2-methylpropyl)guanidine
CID 104883067
1-amino-3-(2-propan-2-yloxyethyl)thiourea
CID 104762816
N-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 104888724
1-amino-2-(2-methylpropyl)-3-(2-methylsulfanylpropyl)guanidine
CID 104888713
1-amino-3-[2-(4-fluorophenyl)ethyl]-2-(2-methylpropyl)guanidine
CID 116511628
1-amino-2-(2-methoxypropyl)-3-(3-methoxypropyl)guanidine
CID 102702156
1-amino-3-(2-methoxyethyl)-2-(4-methylpentyl)guanidine
CID 104885989
1-amino-2-(2-methylpropyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 106044130
1-amino-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine
CID 104885195
2-propan-2-yloxyethylurea
CID 22179539

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine?
The IUPAC name of 1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine (CID 104888824) is 1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine.
What is the SMILES notation for 1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine?
The canonical SMILES for 1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine is CC(C)C/N=C(/NN)NCCOC(C)C.
What is the InChIKey of 1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine?
The InChIKey is FUYNSKLVFJCDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4O/c1-8(2)7-13-10(14-11)12-5-6-15-9(3)4/h8-9H,5-7,11H2,1-4H3,(H2,12,13,14).
What are the key properties of 1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine?
1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine has a molecular weight of 216.33 g/mol, XLogP of 0.48, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(2-methylpropyl)-3-(2-propan-2-yloxyethyl)guanidine is sourced from PubChem (CID 104888824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).