1-[amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine

C14H25F4N5 — CID 138579998

IUPAC1-[amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine
SMILESN/C(=N\C1CCC(F)(F)CC1)NC(N)NC1CCC(F)(F)CC1
InChIInChI=1S/C14H25F4N5/c15-13(16)5-1-9(2-6-13)21-11(19)23-12(20)22-10-3-7-14(17,18)8-4-10/h9-11,21H,1-8,19H2,(H3,20,22,23)
InChIKeyZBZIFZWQMGODNX-UHFFFAOYSA-N
MW339.38 g/mol
LogP1.88
Rot. Bonds4

About 1-[amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine

1-[amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine (PubChem CID 138579998) has the molecular formula C14H25F4N5 and a molecular weight of 339.38 g/mol. Its IUPAC name is 1-[amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine.

Molecular Properties

Compound Name1-[amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine
PubChem CID138579998
Molecular FormulaC14H25F4N5
Molecular Weight339.38 g/mol
Exact Mass339.20
IUPAC Name1-[amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine
SMILESN/C(=N\C1CCC(F)(F)CC1)NC(N)NC1CCC(F)(F)CC1
InChIInChI=1S/C14H25F4N5/c15-13(16)5-1-9(2-6-13)21-11(19)23-12(20)22-10-3-7-14(17,18)8-4-10/h9-11,21H,1-8,19H2,(H3,20,22,23)
InChIKeyZBZIFZWQMGODNX-UHFFFAOYSA-N
XLogP1.88
TPSA88.46 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 51.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', '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-[amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine?
The IUPAC name of 1-[amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine (CID 138579998) is 1-[amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine.
What is the SMILES notation for 1-[amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine?
The canonical SMILES for 1-[amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine is N/C(=N\C1CCC(F)(F)CC1)NC(N)NC1CCC(F)(F)CC1.
What is the InChIKey of 1-[amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine?
The InChIKey is ZBZIFZWQMGODNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F4N5/c15-13(16)5-1-9(2-6-13)21-11(19)23-12(20)22-10-3-7-14(17,18)8-4-10/h9-11,21H,1-8,19H2,(H3,20,22,23).
What are the key properties of 1-[amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine?
1-[amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine has a molecular weight of 339.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-[(4,4-difluorocyclohexyl)amino]methyl]-2-(4,4-difluorocyclohexyl)guanidine is sourced from PubChem (CID 138579998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).