1,3-dicyclohexyl-2-pentylguanidine

C18H35N3 — CID 118030780

IUPAC1,3-dicyclohexyl-2-pentylguanidine
SMILESCCCCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C18H35N3/c1-2-3-10-15-19-18(20-16-11-6-4-7-12-16)21-17-13-8-5-9-14-17/h16-17H,2-15H2,1H3,(H2,19,20,21)
InChIKeyQVYCGLLAGUYNIW-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.38
Rot. Bonds6

About 1,3-dicyclohexyl-2-pentylguanidine

1,3-dicyclohexyl-2-pentylguanidine (PubChem CID 118030780) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1,3-dicyclohexyl-2-pentylguanidine.

Molecular Properties

Compound Name1,3-dicyclohexyl-2-pentylguanidine
PubChem CID118030780
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1,3-dicyclohexyl-2-pentylguanidine
SMILESCCCCCN=C(NC1CCCCC1)NC1CCCCC1
InChIInChI=1S/C18H35N3/c1-2-3-10-15-19-18(20-16-11-6-4-7-12-16)21-17-13-8-5-9-14-17/h16-17H,2-15H2,1H3,(H2,19,20,21)
InChIKeyQVYCGLLAGUYNIW-UHFFFAOYSA-N
XLogP4.38
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 1,3-dicyclohexyl-2-pentylguanidine?
The IUPAC name of 1,3-dicyclohexyl-2-pentylguanidine (CID 118030780) is 1,3-dicyclohexyl-2-pentylguanidine.
What is the SMILES notation for 1,3-dicyclohexyl-2-pentylguanidine?
The canonical SMILES for 1,3-dicyclohexyl-2-pentylguanidine is CCCCCN=C(NC1CCCCC1)NC1CCCCC1.
What is the InChIKey of 1,3-dicyclohexyl-2-pentylguanidine?
The InChIKey is QVYCGLLAGUYNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-2-3-10-15-19-18(20-16-11-6-4-7-12-16)21-17-13-8-5-9-14-17/h16-17H,2-15H2,1H3,(H2,19,20,21).
What are the key properties of 1,3-dicyclohexyl-2-pentylguanidine?
1,3-dicyclohexyl-2-pentylguanidine has a molecular weight of 293.50 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dicyclohexyl-2-pentylguanidine is sourced from PubChem (CID 118030780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).