4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine

C15H23F2N3 — CID 115993876

IUPAC4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)c2ncc(F)cc2F)CC1
InChIInChI=1S/C15H23F2N3/c1-3-8-18-12-4-6-13(7-5-12)20(2)15-14(17)9-11(16)10-19-15/h9-10,12-13,18H,3-8H2,1-2H3
InChIKeyFNFOWDJIMANOMI-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.11
Rot. Bonds5

About 4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine

4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine (PubChem CID 115993876) has the molecular formula C15H23F2N3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
PubChem CID115993876
Molecular FormulaC15H23F2N3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
SMILESCCCNC1CCC(N(C)c2ncc(F)cc2F)CC1
InChIInChI=1S/C15H23F2N3/c1-3-8-18-12-4-6-13(7-5-12)20(2)15-14(17)9-11(16)10-19-15/h9-10,12-13,18H,3-8H2,1-2H3
InChIKeyFNFOWDJIMANOMI-UHFFFAOYSA-N
XLogP3.11
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine with MolForge

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Related Compounds

N-cyclopropyl-5-fluoro-N-methyl-3-(propylaminomethyl)pyridin-2-amine
CID 114035229
4-N-(5-bromo-3-fluoro-2-pyridinyl)-1-N,4-N-dimethylcyclohexane-1,4-diamine
CID 114046754
N'-(3,5-difluoro-2-pyridinyl)-N'-methyl-N-propylethane-1,2-diamine
CID 112676470
5-chloro-N-(4-ethylcyclohexyl)-3-fluoro-N-methylpyridin-2-amine
CID 79727276
4-[methyl-[4-(propylamino)cyclohexyl]amino]-1H-pyrimidin-6-one
CID 136958273
1,1-difluoro-N-methyl-N-[4-(propylamino)cyclohexyl]methanesulfonamide
CID 79123252
4-N-cyclopropyl-4-N-methyl-1-N-propylcyclohexane-1,4-diamine
CID 114762819
4-N-methyl-4-N-(2-methylpyrimidin-4-yl)-1-N-propylcyclohexane-1,4-diamine
CID 79122066
1-(5-fluoropyrimidin-2-yl)-N-propylpiperidin-4-amine
CID 104605818
5-bromo-N-cyclopropyl-3-[(cyclopropylamino)methyl]-N-methylpyridin-2-amine
CID 62279687
N-(2-bromocyclohexyl)-3,5-difluoro-N-methylpyridin-2-amine
CID 102637591
3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 112676147

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine (CID 115993876) is 4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine is CCCNC1CCC(N(C)c2ncc(F)cc2F)CC1.
What is the InChIKey of 4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
The InChIKey is FNFOWDJIMANOMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23F2N3/c1-3-8-18-12-4-6-13(7-5-12)20(2)15-14(17)9-11(16)10-19-15/h9-10,12-13,18H,3-8H2,1-2H3.
What are the key properties of 4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine?
4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine has a molecular weight of 283.37 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-difluoro-2-pyridinyl)-4-N-methyl-1-N-propylcyclohexane-1,4-diamine is sourced from PubChem (CID 115993876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).