1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine

C14H27F3N2 — CID 79618717

IUPAC1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
SMILESCCCNC1CCCC(N(CCC)CC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2/c1-3-8-18-12-6-5-7-13(10-12)19(9-4-2)11-14(15,16)17/h12-13,18H,3-11H2,1-2H3
InChIKeyCQUYUCKDKUSKGK-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.57
Rot. Bonds7

About 1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine

1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine (PubChem CID 79618717) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is 1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
PubChem CID79618717
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC Name1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
SMILESCCCNC1CCCC(N(CCC)CC(F)(F)F)C1
InChIInChI=1S/C14H27F3N2/c1-3-8-18-12-6-5-7-13(10-12)19(9-4-2)11-14(15,16)17/h12-13,18H,3-11H2,1-2H3
InChIKeyCQUYUCKDKUSKGK-UHFFFAOYSA-N
XLogP3.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
CID 79618501
N'-cyclopropyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554163
2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495504
1-N-ethyl-1-N-(2-methoxyethyl)-3-N-propylcyclohexane-1,3-diamine
CID 79618820
3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine
CID 79467698
1-N-ethyl-1-N-(2-ethylbutyl)-3-N-propylcyclohexane-1,3-diamine
CID 79631157
1-N-[2-(dimethylamino)ethyl]-3-N-ethyl-1-N-propylcyclohexane-1,3-diamine
CID 79618827
1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine
CID 79630573
N'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62556126
4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
CID 62807259
N-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60806813
1-N-(cyclopropylmethyl)-1-N-methyl-3-N-propylcyclohexane-1,3-diamine
CID 79631247

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine (CID 79618717) is 1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine is CCCNC1CCCC(N(CCC)CC(F)(F)F)C1.
What is the InChIKey of 1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine?
The InChIKey is CQUYUCKDKUSKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-3-8-18-12-6-5-7-13(10-12)19(9-4-2)11-14(15,16)17/h12-13,18H,3-11H2,1-2H3.
What are the key properties of 1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine?
1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine has a molecular weight of 280.38 g/mol, XLogP of 3.57, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79618717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).