2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine

C15H31N3 — CID 62362061

IUPAC2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine
SMILESCC(C)CN(CC(C)C)/C(N)=N/C1CCCCC1
InChIInChI=1S/C15H31N3/c1-12(2)10-18(11-13(3)4)15(16)17-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3,(H2,16,17)
InChIKeyBDVKZJKLWZHDFJ-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.25
Rot. Bonds5

About 2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine

2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine (PubChem CID 62362061) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine
PubChem CID62362061
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC Name2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine
SMILESCC(C)CN(CC(C)C)/C(N)=N/C1CCCCC1
InChIInChI=1S/C15H31N3/c1-12(2)10-18(11-13(3)4)15(16)17-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3,(H2,16,17)
InChIKeyBDVKZJKLWZHDFJ-UHFFFAOYSA-N
XLogP3.25
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-cyclohexyl-1,1-bis(2-methylpropyl)guanidine?
The IUPAC name of 2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine (CID 62362061) is 2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine.
What is the SMILES notation for 2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine?
The canonical SMILES for 2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine is CC(C)CN(CC(C)C)/C(N)=N/C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine?
The InChIKey is BDVKZJKLWZHDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-12(2)10-18(11-13(3)4)15(16)17-14-8-6-5-7-9-14/h12-14H,5-11H2,1-4H3,(H2,16,17).
What are the key properties of 2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine?
2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine has a molecular weight of 253.43 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1,1-bis(2-methylpropyl)guanidine is sourced from PubChem (CID 62362061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).