2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol

C14H28F2N2O — CID 18939543

IUPAC2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
SMILESCC(C)C(N)C(F)(F)C(O)C(N)CC1CCCCC1
InChIInChI=1S/C14H28F2N2O/c1-9(2)12(18)14(15,16)13(19)11(17)8-10-6-4-3-5-7-10/h9-13,19H,3-8,17-18H2,1-2H3
InChIKeyMIEJXDMTZCTOME-UHFFFAOYSA-N
MW278.39 g/mol
LogP2.26
Rot. Bonds6

About 2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol

2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol (PubChem CID 18939543) has the molecular formula C14H28F2N2O and a molecular weight of 278.39 g/mol. Its IUPAC name is 2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol.

Molecular Properties

Compound Name2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
PubChem CID18939543
Molecular FormulaC14H28F2N2O
Molecular Weight278.39 g/mol
Exact Mass278.22
IUPAC Name2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol
SMILESCC(C)C(N)C(F)(F)C(O)C(N)CC1CCCCC1
InChIInChI=1S/C14H28F2N2O/c1-9(2)12(18)14(15,16)13(19)11(17)8-10-6-4-3-5-7-10/h9-13,19H,3-8,17-18H2,1-2H3
InChIKeyMIEJXDMTZCTOME-UHFFFAOYSA-N
XLogP2.26
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.39
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol?
The IUPAC name of 2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol (CID 18939543) is 2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol.
What is the SMILES notation for 2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol?
The canonical SMILES for 2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol is CC(C)C(N)C(F)(F)C(O)C(N)CC1CCCCC1.
What is the InChIKey of 2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol?
The InChIKey is MIEJXDMTZCTOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F2N2O/c1-9(2)12(18)14(15,16)13(19)11(17)8-10-6-4-3-5-7-10/h9-13,19H,3-8,17-18H2,1-2H3.
What are the key properties of 2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol?
2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol has a molecular weight of 278.39 g/mol, XLogP of 2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-1-cyclohexyl-4,4-difluoro-6-methylheptan-3-ol is sourced from PubChem (CID 18939543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).