1-cyclohexyl-2-[2-(3-methylbutoxy)ethyl]guanidine

C14H29N3O — CID 55064067

IUPAC1-cyclohexyl-2-[2-(3-methylbutoxy)ethyl]guanidine
SMILESCC(C)CCOCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C14H29N3O/c1-12(2)8-10-18-11-9-16-14(15)17-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H3,15,16,17)
InChIKeyOZVZSNGJORJNKF-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.29
Rot. Bonds7

About 1-cyclohexyl-2-[2-(3-methylbutoxy)ethyl]guanidine

1-cyclohexyl-2-[2-(3-methylbutoxy)ethyl]guanidine (PubChem CID 55064067) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2-(3-methylbutoxy)ethyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[2-(3-methylbutoxy)ethyl]guanidine
PubChem CID55064067
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-cyclohexyl-2-[2-(3-methylbutoxy)ethyl]guanidine
SMILESCC(C)CCOCC/N=C(\N)NC1CCCCC1
InChIInChI=1S/C14H29N3O/c1-12(2)8-10-18-11-9-16-14(15)17-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H3,15,16,17)
InChIKeyOZVZSNGJORJNKF-UHFFFAOYSA-N
XLogP2.29
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.29
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-cyclohexyl-2-[2-(3-methylbutoxy)ethyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[2-(3-methylbutoxy)ethyl]guanidine (CID 55064067) is 1-cyclohexyl-2-[2-(3-methylbutoxy)ethyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[2-(3-methylbutoxy)ethyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[2-(3-methylbutoxy)ethyl]guanidine is CC(C)CCOCC/N=C(\N)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2-(3-methylbutoxy)ethyl]guanidine?
The InChIKey is OZVZSNGJORJNKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-12(2)8-10-18-11-9-16-14(15)17-13-6-4-3-5-7-13/h12-13H,3-11H2,1-2H3,(H3,15,16,17).
What are the key properties of 1-cyclohexyl-2-[2-(3-methylbutoxy)ethyl]guanidine?
1-cyclohexyl-2-[2-(3-methylbutoxy)ethyl]guanidine has a molecular weight of 255.41 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2-(3-methylbutoxy)ethyl]guanidine is sourced from PubChem (CID 55064067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).