2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine

C18H35N3 — CID 89442983

IUPAC2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
SMILESCC(C)CN(C)/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C18H35N3/c1-15(2)14-21(3)18(19-16-10-6-4-7-11-16)20-17-12-8-5-9-13-17/h15-17H,4-14H2,1-3H3,(H,19,20)
InChIKeyFMNDVXWVSCRTPL-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.19
Rot. Bonds4

About 2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine

2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine (PubChem CID 89442983) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine.

Molecular Properties

Compound Name2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
PubChem CID89442983
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine
SMILESCC(C)CN(C)/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C18H35N3/c1-15(2)14-21(3)18(19-16-10-6-4-7-11-16)20-17-12-8-5-9-13-17/h15-17H,4-14H2,1-3H3,(H,19,20)
InChIKeyFMNDVXWVSCRTPL-UHFFFAOYSA-N
XLogP4.19
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.19
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-methyl-1-(2-methylpropyl)guanidine?
The IUPAC name of 2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine (CID 89442983) is 2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine.
What is the SMILES notation for 2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine?
The canonical SMILES for 2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine is CC(C)CN(C)/C(=N\C1CCCCC1)NC1CCCCC1.
What is the InChIKey of 2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine?
The InChIKey is FMNDVXWVSCRTPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-15(2)14-21(3)18(19-16-10-6-4-7-11-16)20-17-12-8-5-9-13-17/h15-17H,4-14H2,1-3H3,(H,19,20).
What are the key properties of 2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine?
2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine has a molecular weight of 293.50 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dicyclohexyl-1-methyl-1-(2-methylpropyl)guanidine is sourced from PubChem (CID 89442983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).