1-(1-methoxypropan-2-yl)-1,2-dimethylguanidine

C7H17N3O — CID 62360430

IUPAC1-(1-methoxypropan-2-yl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)C(C)COC
InChIInChI=1S/C7H17N3O/c1-6(5-11-4)10(3)7(8)9-2/h6H,5H2,1-4H3,(H2,8,9)
InChIKeyTYWUEBCKOXMQRP-UHFFFAOYSA-N
MW159.23 g/mol
LogP-0.10
Rot. Bonds3

About 1-(1-methoxypropan-2-yl)-1,2-dimethylguanidine

1-(1-methoxypropan-2-yl)-1,2-dimethylguanidine (PubChem CID 62360430) has the molecular formula C7H17N3O and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(1-methoxypropan-2-yl)-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-(1-methoxypropan-2-yl)-1,2-dimethylguanidine
PubChem CID62360430
Molecular FormulaC7H17N3O
Molecular Weight159.23 g/mol
Exact Mass159.14
IUPAC Name1-(1-methoxypropan-2-yl)-1,2-dimethylguanidine
SMILESC/N=C(\N)N(C)C(C)COC
InChIInChI=1S/C7H17N3O/c1-6(5-11-4)10(3)7(8)9-2/h6H,5H2,1-4H3,(H2,8,9)
InChIKeyTYWUEBCKOXMQRP-UHFFFAOYSA-N
XLogP-0.10
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
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-methoxypropan-2-yl)-1,2-dimethylguanidine?
The IUPAC name of 1-(1-methoxypropan-2-yl)-1,2-dimethylguanidine (CID 62360430) is 1-(1-methoxypropan-2-yl)-1,2-dimethylguanidine.
What is the SMILES notation for 1-(1-methoxypropan-2-yl)-1,2-dimethylguanidine?
The canonical SMILES for 1-(1-methoxypropan-2-yl)-1,2-dimethylguanidine is C/N=C(\N)N(C)C(C)COC.
What is the InChIKey of 1-(1-methoxypropan-2-yl)-1,2-dimethylguanidine?
The InChIKey is TYWUEBCKOXMQRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17N3O/c1-6(5-11-4)10(3)7(8)9-2/h6H,5H2,1-4H3,(H2,8,9).
What are the key properties of 1-(1-methoxypropan-2-yl)-1,2-dimethylguanidine?
1-(1-methoxypropan-2-yl)-1,2-dimethylguanidine has a molecular weight of 159.23 g/mol, XLogP of -0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxypropan-2-yl)-1,2-dimethylguanidine is sourced from PubChem (CID 62360430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).