1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine

C14H27F3N2 — CID 115317208

IUPAC1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H27F3N2/c1-10(2)13(18)7-8-19(3)12-6-4-5-11(9-12)14(15,16)17/h10-13H,4-9,18H2,1-3H3
InChIKeyIVZXYCUJPSZWJR-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.41
Rot. Bonds5

About 1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine

1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine (PubChem CID 115317208) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine
PubChem CID115317208
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine
SMILESCC(C)C(N)CCN(C)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H27F3N2/c1-10(2)13(18)7-8-19(3)12-6-4-5-11(9-12)14(15,16)17/h10-13H,4-9,18H2,1-3H3
InChIKeyIVZXYCUJPSZWJR-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine (CID 115317208) is 1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine is CC(C)C(N)CCN(C)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine?
The InChIKey is IVZXYCUJPSZWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-10(2)13(18)7-8-19(3)12-6-4-5-11(9-12)14(15,16)17/h10-13H,4-9,18H2,1-3H3.
What are the key properties of 1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine?
1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine has a molecular weight of 280.38 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-[3-(trifluoromethyl)cyclohexyl]pentane-1,3-diamine is sourced from PubChem (CID 115317208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).