1-amino-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine

C11H24N4O — CID 104885195

IUPAC1-amino-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine
SMILESCC(C)C/N=C(\NN)NCCC1CCCO1
InChIInChI=1S/C11H24N4O/c1-9(2)8-14-11(15-12)13-6-5-10-4-3-7-16-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyBPXKRFGSXXIRCV-UHFFFAOYSA-N
MW228.34 g/mol
LogP0.62
Rot. Bonds5

About 1-amino-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine

1-amino-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine (PubChem CID 104885195) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-amino-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-amino-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine
PubChem CID104885195
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1-amino-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine
SMILESCC(C)C/N=C(\NN)NCCC1CCCO1
InChIInChI=1S/C11H24N4O/c1-9(2)8-14-11(15-12)13-6-5-10-4-3-7-16-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15)
InChIKeyBPXKRFGSXXIRCV-UHFFFAOYSA-N
XLogP0.62
TPSA71.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 50.62
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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Related Compounds

2-methyl-1-(3-methylbutan-2-yl)-3-[2-(oxolan-2-yl)ethyl]guanidine
CID 111002189
1-amino-3-(1,4-dioxan-2-ylmethyl)-2-(2-methylpropyl)guanidine
CID 104884344
2-methyl-1-[3-(2-methylpropoxy)propyl]-3-[2-(oxolan-2-yl)ethyl]guanidine
CID 111400751
1-amino-3-(3-methylbutyl)-2-(2-methylpropyl)guanidine
CID 104882994
N-[2-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 104888724
4-hydroxy-N-[2-(oxolan-2-yl)ethyl]pentanamide
CID 79192350
1-amino-3-(3-ethoxypropyl)-2-(oxolan-2-ylmethyl)guanidine
CID 104883123
1-(cyclopropylmethyl)-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111867307
1-(2-ethylbutyl)-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111890384
1-(3-methylbutyl)-2-[2-(oxan-2-yl)ethyl]guanidine;hydroiodide
CID 110018751
N,N-dimethyl-2-[[(2-methylpropylamino)-[2-(oxan-2-yl)ethylamino]methylidene]amino]acetamide;hydroiodide
CID 110034804
2-ethyl-N-[2-(oxolan-2-yl)ethyl]butanamide
CID 110731236

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine?
The IUPAC name of 1-amino-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine (CID 104885195) is 1-amino-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine.
What is the SMILES notation for 1-amino-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine?
The canonical SMILES for 1-amino-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine is CC(C)C/N=C(\NN)NCCC1CCCO1.
What is the InChIKey of 1-amino-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine?
The InChIKey is BPXKRFGSXXIRCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-9(2)8-14-11(15-12)13-6-5-10-4-3-7-16-10/h9-10H,3-8,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine?
1-amino-2-(2-methylpropyl)-3-[2-(oxolan-2-yl)ethyl]guanidine has a molecular weight of 228.34 g/mol, XLogP of 0.62, 5 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-(oxolan-2-yl)ethyl]guanidine is sourced from PubChem (CID 104885195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).