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

C10H23N3O — CID 23103993

IUPAC1-methyl-1-(3-pentoxypropyl)guanidine
SMILES[H]/N=C(\N)N(C)CCCOCCCCC
InChIInChI=1S/C10H23N3O/c1-3-4-5-8-14-9-6-7-13(2)10(11)12/h3-9H2,1-2H3,(H3,11,12)
InChIKeyBTMMBRDPQLEISC-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.41
Rot. Bonds8

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

1-methyl-1-(3-pentoxypropyl)guanidine (PubChem CID 23103993) has the molecular formula C10H23N3O and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-methyl-1-(3-pentoxypropyl)guanidine.

Molecular Properties

Compound Name1-methyl-1-(3-pentoxypropyl)guanidine
PubChem CID23103993
Molecular FormulaC10H23N3O
Molecular Weight201.31 g/mol
Exact Mass201.18
IUPAC Name1-methyl-1-(3-pentoxypropyl)guanidine
SMILES[H]/N=C(\N)N(C)CCCOCCCCC
InChIInChI=1S/C10H23N3O/c1-3-4-5-8-14-9-6-7-13(2)10(11)12/h3-9H2,1-2H3,(H3,11,12)
InChIKeyBTMMBRDPQLEISC-UHFFFAOYSA-N
XLogP1.41
TPSA62.34 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 ≤ 51.41
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 1-methyl-1-(3-pentoxypropyl)guanidine?
The IUPAC name of 1-methyl-1-(3-pentoxypropyl)guanidine (CID 23103993) is 1-methyl-1-(3-pentoxypropyl)guanidine.
What is the SMILES notation for 1-methyl-1-(3-pentoxypropyl)guanidine?
The canonical SMILES for 1-methyl-1-(3-pentoxypropyl)guanidine is [H]/N=C(\N)N(C)CCCOCCCCC.
What is the InChIKey of 1-methyl-1-(3-pentoxypropyl)guanidine?
The InChIKey is BTMMBRDPQLEISC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3O/c1-3-4-5-8-14-9-6-7-13(2)10(11)12/h3-9H2,1-2H3,(H3,11,12).
What are the key properties of 1-methyl-1-(3-pentoxypropyl)guanidine?
1-methyl-1-(3-pentoxypropyl)guanidine has a molecular weight of 201.31 g/mol, XLogP of 1.41, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(3-pentoxypropyl)guanidine is sourced from PubChem (CID 23103993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).