2-methyl-1-(3-pentoxypropyl)guanidine

C10H23N3O — CID 23103880

IUPAC2-methyl-1-(3-pentoxypropyl)guanidine
SMILESCCCCCOCCCN/C(N)=N/C
InChIInChI=1S/C10H23N3O/c1-3-4-5-8-14-9-6-7-13-10(11)12-2/h3-9H2,1-2H3,(H3,11,12,13)
InChIKeyRUZBHHYYUQMQPF-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.12
Rot. Bonds8

About 2-methyl-1-(3-pentoxypropyl)guanidine

2-methyl-1-(3-pentoxypropyl)guanidine (PubChem CID 23103880) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-methyl-1-(3-pentoxypropyl)guanidine.

Molecular Properties

Compound Name2-methyl-1-(3-pentoxypropyl)guanidine
PubChem CID23103880
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name2-methyl-1-(3-pentoxypropyl)guanidine
SMILESCCCCCOCCCN/C(N)=N/C
InChIInChI=1S/C10H23N3O/c1-3-4-5-8-14-9-6-7-13-10(11)12-2/h3-9H2,1-2H3,(H3,11,12,13)
InChIKeyRUZBHHYYUQMQPF-UHFFFAOYSA-N
XLogP1.12
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-methyl-1-(3-pentoxypropyl)guanidine?
The IUPAC name of 2-methyl-1-(3-pentoxypropyl)guanidine (CID 23103880) is 2-methyl-1-(3-pentoxypropyl)guanidine.
What is the SMILES notation for 2-methyl-1-(3-pentoxypropyl)guanidine?
The canonical SMILES for 2-methyl-1-(3-pentoxypropyl)guanidine is CCCCCOCCCN/C(N)=N/C.
What is the InChIKey of 2-methyl-1-(3-pentoxypropyl)guanidine?
The InChIKey is RUZBHHYYUQMQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-3-4-5-8-14-9-6-7-13-10(11)12-2/h3-9H2,1-2H3,(H3,11,12,13).
What are the key properties of 2-methyl-1-(3-pentoxypropyl)guanidine?
2-methyl-1-(3-pentoxypropyl)guanidine has a molecular weight of 201.31 g/mol, XLogP of 1.12, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(3-pentoxypropyl)guanidine is sourced from PubChem (CID 23103880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).