2,3-dicyclohexyl-1,1-dimethylguanidine

C15H29N3 — CID 14423437

IUPAC2,3-dicyclohexyl-1,1-dimethylguanidine
SMILESCN(C)/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H29N3/c1-18(2)15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3,(H,16,17)
InChIKeySNWGOHMXGANJON-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.16
Rot. Bonds2

About 2,3-dicyclohexyl-1,1-dimethylguanidine

2,3-dicyclohexyl-1,1-dimethylguanidine (PubChem CID 14423437) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 2,3-dicyclohexyl-1,1-dimethylguanidine.

Molecular Properties

Compound Name2,3-dicyclohexyl-1,1-dimethylguanidine
PubChem CID14423437
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name2,3-dicyclohexyl-1,1-dimethylguanidine
SMILESCN(C)/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C15H29N3/c1-18(2)15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3,(H,16,17)
InChIKeySNWGOHMXGANJON-UHFFFAOYSA-N
XLogP3.16
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.16
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 2,3-dicyclohexyl-1,1-dimethylguanidine?
The IUPAC name of 2,3-dicyclohexyl-1,1-dimethylguanidine (CID 14423437) is 2,3-dicyclohexyl-1,1-dimethylguanidine.
What is the SMILES notation for 2,3-dicyclohexyl-1,1-dimethylguanidine?
The canonical SMILES for 2,3-dicyclohexyl-1,1-dimethylguanidine is CN(C)/C(=N\C1CCCCC1)NC1CCCCC1.
What is the InChIKey of 2,3-dicyclohexyl-1,1-dimethylguanidine?
The InChIKey is SNWGOHMXGANJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-18(2)15(16-13-9-5-3-6-10-13)17-14-11-7-4-8-12-14/h13-14H,3-12H2,1-2H3,(H,16,17).
What are the key properties of 2,3-dicyclohexyl-1,1-dimethylguanidine?
2,3-dicyclohexyl-1,1-dimethylguanidine has a molecular weight of 251.42 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dicyclohexyl-1,1-dimethylguanidine is sourced from PubChem (CID 14423437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).