1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine

C10H23N3O — CID 115629389

IUPAC1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine
SMILESCOCC(C)(C)N/C(N)=N/CC(C)C
InChIInChI=1S/C10H23N3O/c1-8(2)6-12-9(11)13-10(3,4)7-14-5/h8H,6-7H2,1-5H3,(H3,11,12,13)
InChIKeyNWCIKIAATAINKI-UHFFFAOYSA-N
MW201.31 g/mol
LogP0.97
Rot. Bonds5

About 1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine

1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine (PubChem CID 115629389) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine
PubChem CID115629389
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine
SMILESCOCC(C)(C)N/C(N)=N/CC(C)C
InChIInChI=1S/C10H23N3O/c1-8(2)6-12-9(11)13-10(3,4)7-14-5/h8H,6-7H2,1-5H3,(H3,11,12,13)
InChIKeyNWCIKIAATAINKI-UHFFFAOYSA-N
XLogP0.97
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 50.97
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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Related Compounds

1-(2-Methoxyethyl)-2-(3-methylbutyl)guanidine
CID 155516360
1-Tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]guanidine
CID 63363235
1-Tert-butyl-2-[2-(2,2-difluoroethoxy)ethyl]guanidine
CID 103090735
1-Tert-butyl-2-[2-(2-methoxyethoxy)ethyl]guanidine
CID 62362901
2-(3-Methylbutyl)-1-(2-propoxyethyl)guanidine
CID 122697524
2-(3-Methylbutyl)-1-[2-(2-methylpropoxy)ethyl]guanidine
CID 167118844
2-Methyl-1-[2-(3-methylbutoxy)ethyl]guanidine
CID 62359936
2-Tert-butyl-1-ethyl-1-(2-methoxyethyl)guanidine
CID 62361460
1-Ethyl-1-(2-methoxyethyl)-2-(2-methylpropyl)guanidine
CID 62361461
2-Tert-butyl-1-(2-methoxyethyl)-1-(2-methylpropyl)guanidine
CID 62361465
2-Ethyl-1-(1-methoxypropan-2-yl)guanidine
CID 62361502
1-(1-Methoxypropan-2-yl)-2-propylguanidine
CID 62361503

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine?
The IUPAC name of 1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine (CID 115629389) is 1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine.
What is the SMILES notation for 1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine?
The canonical SMILES for 1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine is COCC(C)(C)N/C(N)=N/CC(C)C.
What is the InChIKey of 1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine?
The InChIKey is NWCIKIAATAINKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-8(2)6-12-9(11)13-10(3,4)7-14-5/h8H,6-7H2,1-5H3,(H3,11,12,13).
What are the key properties of 1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine?
1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine has a molecular weight of 201.31 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxy-2-methylpropan-2-yl)-2-(2-methylpropyl)guanidine is sourced from PubChem (CID 115629389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).