2-[(1-propoxycyclohexyl)methyl]guanidine

C11H23N3O — CID 111757570

IUPAC2-[(1-propoxycyclohexyl)methyl]guanidine
SMILESCCCOC1(CN=C(N)N)CCCCC1
InChIInChI=1S/C11H23N3O/c1-2-8-15-11(9-14-10(12)13)6-4-3-5-7-11/h2-9H2,1H3,(H4,12,13,14)
InChIKeyJDNXZEWWEYWFMF-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.39
Rot. Bonds5

About 2-[(1-propoxycyclohexyl)methyl]guanidine

2-[(1-propoxycyclohexyl)methyl]guanidine (PubChem CID 111757570) has the molecular formula C11H23N3O and a molecular weight of 213.32 g/mol. Its IUPAC name is 2-[(1-propoxycyclohexyl)methyl]guanidine.

Molecular Properties

Compound Name2-[(1-propoxycyclohexyl)methyl]guanidine
PubChem CID111757570
Molecular FormulaC11H23N3O
Molecular Weight213.32 g/mol
Exact Mass213.18
IUPAC Name2-[(1-propoxycyclohexyl)methyl]guanidine
SMILESCCCOC1(CN=C(N)N)CCCCC1
InChIInChI=1S/C11H23N3O/c1-2-8-15-11(9-14-10(12)13)6-4-3-5-7-11/h2-9H2,1H3,(H4,12,13,14)
InChIKeyJDNXZEWWEYWFMF-UHFFFAOYSA-N
XLogP1.39
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.39
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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Frequently Asked Questions

What is the IUPAC name of 2-[(1-propoxycyclohexyl)methyl]guanidine?
The IUPAC name of 2-[(1-propoxycyclohexyl)methyl]guanidine (CID 111757570) is 2-[(1-propoxycyclohexyl)methyl]guanidine.
What is the SMILES notation for 2-[(1-propoxycyclohexyl)methyl]guanidine?
The canonical SMILES for 2-[(1-propoxycyclohexyl)methyl]guanidine is CCCOC1(CN=C(N)N)CCCCC1.
What is the InChIKey of 2-[(1-propoxycyclohexyl)methyl]guanidine?
The InChIKey is JDNXZEWWEYWFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O/c1-2-8-15-11(9-14-10(12)13)6-4-3-5-7-11/h2-9H2,1H3,(H4,12,13,14).
What are the key properties of 2-[(1-propoxycyclohexyl)methyl]guanidine?
2-[(1-propoxycyclohexyl)methyl]guanidine has a molecular weight of 213.32 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propoxycyclohexyl)methyl]guanidine is sourced from PubChem (CID 111757570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).