1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine

C11H23N3O — CID 122098480

IUPAC1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine
SMILESCC1CCC(CN=C(N(C)C)N(C)C)O1
InChIInChI=1S/C11H23N3O/c1-9-6-7-10(15-9)8-12-11(13(2)3)14(4)5/h9-10H,6-8H2,1-5H3
InChIKeyZHQGLNJYUCXNKF-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.03
Rot. Bonds2

About 1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine

1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine (PubChem CID 122098480) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine
PubChem CID122098480
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine
SMILESCC1CCC(CN=C(N(C)C)N(C)C)O1
InChIInChI=1S/C11H23N3O/c1-9-6-7-10(15-9)8-12-11(13(2)3)14(4)5/h9-10H,6-8H2,1-5H3
InChIKeyZHQGLNJYUCXNKF-UHFFFAOYSA-N
XLogP1.03
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.03
H-Bond Donors ≤ 50
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 1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine?
The IUPAC name of 1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine (CID 122098480) is 1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine.
What is the SMILES notation for 1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine?
The canonical SMILES for 1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine is CC1CCC(CN=C(N(C)C)N(C)C)O1.
What is the InChIKey of 1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine?
The InChIKey is ZHQGLNJYUCXNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-9-6-7-10(15-9)8-12-11(13(2)3)14(4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of 1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine?
1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine has a molecular weight of 213.32 g/mol, XLogP of 1.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-2-[(5-methyloxolan-2-yl)methyl]guanidine is sourced from PubChem (CID 122098480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).