5-fluoro-6-N,1,3-trimethyl-4-N-propan-2-yl-4-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,3-diazinane-4,6-diamine

C18H34F4N4 — CID 156519616

IUPAC5-fluoro-6-N,1,3-trimethyl-4-N-propan-2-yl-4-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,3-diazinane-4,6-diamine
SMILESCNC1C(F)C(N(CC2CCC(C(F)(F)F)CC2)C(C)C)N(C)CN1C
InChIInChI=1S/C18H34F4N4/c1-12(2)26(10-13-6-8-14(9-7-13)18(20,21)22)17-15(19)16(23-3)24(4)11-25(17)5/h12-17,23H,6-11H2,1-5H3
InChIKeyWUCJHNTXYBEZOK-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.11
Rot. Bonds5

About 5-fluoro-6-N,1,3-trimethyl-4-N-propan-2-yl-4-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,3-diazinane-4,6-diamine

5-fluoro-6-N,1,3-trimethyl-4-N-propan-2-yl-4-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,3-diazinane-4,6-diamine (PubChem CID 156519616) has the molecular formula C18H34F4N4 and a molecular weight of 382.49 g/mol. Its IUPAC name is 5-fluoro-6-N,1,3-trimethyl-4-N-propan-2-yl-4-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,3-diazinane-4,6-diamine.

Molecular Properties

Compound Name5-fluoro-6-N,1,3-trimethyl-4-N-propan-2-yl-4-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,3-diazinane-4,6-diamine
PubChem CID156519616
Molecular FormulaC18H34F4N4
Molecular Weight382.49 g/mol
Exact Mass382.27
IUPAC Name5-fluoro-6-N,1,3-trimethyl-4-N-propan-2-yl-4-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,3-diazinane-4,6-diamine
SMILESCNC1C(F)C(N(CC2CCC(C(F)(F)F)CC2)C(C)C)N(C)CN1C
InChIInChI=1S/C18H34F4N4/c1-12(2)26(10-13-6-8-14(9-7-13)18(20,21)22)17-15(19)16(23-3)24(4)11-25(17)5/h12-17,23H,6-11H2,1-5H3
InChIKeyWUCJHNTXYBEZOK-UHFFFAOYSA-N
XLogP3.11
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-N,1,3-trimethyl-4-N-propan-2-yl-4-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,3-diazinane-4,6-diamine?
The IUPAC name of 5-fluoro-6-N,1,3-trimethyl-4-N-propan-2-yl-4-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,3-diazinane-4,6-diamine (CID 156519616) is 5-fluoro-6-N,1,3-trimethyl-4-N-propan-2-yl-4-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,3-diazinane-4,6-diamine.
What is the SMILES notation for 5-fluoro-6-N,1,3-trimethyl-4-N-propan-2-yl-4-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,3-diazinane-4,6-diamine?
The canonical SMILES for 5-fluoro-6-N,1,3-trimethyl-4-N-propan-2-yl-4-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,3-diazinane-4,6-diamine is CNC1C(F)C(N(CC2CCC(C(F)(F)F)CC2)C(C)C)N(C)CN1C.
What is the InChIKey of 5-fluoro-6-N,1,3-trimethyl-4-N-propan-2-yl-4-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,3-diazinane-4,6-diamine?
The InChIKey is WUCJHNTXYBEZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34F4N4/c1-12(2)26(10-13-6-8-14(9-7-13)18(20,21)22)17-15(19)16(23-3)24(4)11-25(17)5/h12-17,23H,6-11H2,1-5H3.
What are the key properties of 5-fluoro-6-N,1,3-trimethyl-4-N-propan-2-yl-4-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,3-diazinane-4,6-diamine?
5-fluoro-6-N,1,3-trimethyl-4-N-propan-2-yl-4-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,3-diazinane-4,6-diamine has a molecular weight of 382.49 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-N,1,3-trimethyl-4-N-propan-2-yl-4-N-[[4-(trifluoromethyl)cyclohexyl]methyl]-1,3-diazinane-4,6-diamine is sourced from PubChem (CID 156519616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).