1,1-dicyclohexyl-2-piperidin-1-ylguanidine

C18H34N4 — CID 67195280

IUPAC1,1-dicyclohexyl-2-piperidin-1-ylguanidine
SMILESNC(=NN1CCCCC1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H34N4/c19-18(20-21-14-8-3-9-15-21)22(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h16-17H,1-15H2,(H2,19,20)
InChIKeyXUTSDSMPEWVPIJ-UHFFFAOYSA-N
MW306.50 g/mol
LogP3.67
Rot. Bonds3

About 1,1-dicyclohexyl-2-piperidin-1-ylguanidine

1,1-dicyclohexyl-2-piperidin-1-ylguanidine (PubChem CID 67195280) has the molecular formula C18H34N4 and a molecular weight of 306.50 g/mol. Its IUPAC name is 1,1-dicyclohexyl-2-piperidin-1-ylguanidine.

Molecular Properties

Compound Name1,1-dicyclohexyl-2-piperidin-1-ylguanidine
PubChem CID67195280
Molecular FormulaC18H34N4
Molecular Weight306.50 g/mol
Exact Mass306.28
IUPAC Name1,1-dicyclohexyl-2-piperidin-1-ylguanidine
SMILESNC(=NN1CCCCC1)N(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C18H34N4/c19-18(20-21-14-8-3-9-15-21)22(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h16-17H,1-15H2,(H2,19,20)
InChIKeyXUTSDSMPEWVPIJ-UHFFFAOYSA-N
XLogP3.67
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.50
LogP ≤ 53.67
H-Bond Donors ≤ 51
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 1,1-dicyclohexyl-2-piperidin-1-ylguanidine?
The IUPAC name of 1,1-dicyclohexyl-2-piperidin-1-ylguanidine (CID 67195280) is 1,1-dicyclohexyl-2-piperidin-1-ylguanidine.
What is the SMILES notation for 1,1-dicyclohexyl-2-piperidin-1-ylguanidine?
The canonical SMILES for 1,1-dicyclohexyl-2-piperidin-1-ylguanidine is NC(=NN1CCCCC1)N(C1CCCCC1)C1CCCCC1.
What is the InChIKey of 1,1-dicyclohexyl-2-piperidin-1-ylguanidine?
The InChIKey is XUTSDSMPEWVPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4/c19-18(20-21-14-8-3-9-15-21)22(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h16-17H,1-15H2,(H2,19,20).
What are the key properties of 1,1-dicyclohexyl-2-piperidin-1-ylguanidine?
1,1-dicyclohexyl-2-piperidin-1-ylguanidine has a molecular weight of 306.50 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclohexyl-2-piperidin-1-ylguanidine is sourced from PubChem (CID 67195280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).