2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine

C10H21N3O — CID 62363542

IUPAC2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine
SMILESCC(C)C/N=C(\N)NCC1CCOC1
InChIInChI=1S/C10H21N3O/c1-8(2)5-12-10(11)13-6-9-3-4-14-7-9/h8-9H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyTUSUVCIHBUMGJH-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.58
Rot. Bonds4

About 2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine

2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine (PubChem CID 62363542) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine
PubChem CID62363542
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine
SMILESCC(C)C/N=C(\N)NCC1CCOC1
InChIInChI=1S/C10H21N3O/c1-8(2)5-12-10(11)13-6-9-3-4-14-7-9/h8-9H,3-7H2,1-2H3,(H3,11,12,13)
InChIKeyTUSUVCIHBUMGJH-UHFFFAOYSA-N
XLogP0.58
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine (CID 62363542) is 2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine is CC(C)C/N=C(\N)NCC1CCOC1.
What is the InChIKey of 2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine?
The InChIKey is TUSUVCIHBUMGJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-8(2)5-12-10(11)13-6-9-3-4-14-7-9/h8-9H,3-7H2,1-2H3,(H3,11,12,13).
What are the key properties of 2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine?
2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine has a molecular weight of 199.30 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 62363542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).