1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine

C14H25F3N2 — CID 79618501

IUPAC1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
SMILESCCCNC1CCCC(N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C14H25F3N2/c1-2-8-18-11-4-3-5-13(9-11)19(12-6-7-12)10-14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyLMBOIMDQVCTSAZ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.32
Rot. Bonds6

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

1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine (PubChem CID 79618501) has the molecular formula C14H25F3N2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine.

Molecular Properties

Compound Name1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
PubChem CID79618501
Molecular FormulaC14H25F3N2
Molecular Weight278.36 g/mol
Exact Mass278.20
IUPAC Name1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
SMILESCCCNC1CCCC(N(CC(F)(F)F)C2CC2)C1
InChIInChI=1S/C14H25F3N2/c1-2-8-18-11-4-3-5-13(9-11)19(12-6-7-12)10-14(15,16)17/h11-13,18H,2-10H2,1H3
InChIKeyLMBOIMDQVCTSAZ-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-N,3-N-dipropyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine
CID 79618717
1-N-cyclohexyl-1-N-ethyl-3-N-propylcyclohexane-1,3-diamine
CID 79630573
3-N-cyclohexyl-3-N-ethyl-1-N-propylcyclopentane-1,3-diamine
CID 79643635
N'-cyclopropyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554163
1-N-propylcyclohexane-1,3-diamine
CID 22026573
1-N-(cyclopropylmethyl)-1-N-methyl-3-N-propylcyclohexane-1,3-diamine
CID 79631247
3-N-cyclopropyl-3-N-methyl-1-N-propylcyclopentane-1,3-diamine
CID 79643528
1-N-methyl-1-N-(3-methylbutan-2-yl)-3-N-propylcyclohexane-1,3-diamine
CID 79631344
2-[[4-(propylamino)cyclohexyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107495504
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
N'-ethyl-N-(3-methylcyclohexyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62556126
N-propyl-3-(4,4,4-trifluorobutoxy)cyclohexan-1-amine
CID 82789902

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine?
The IUPAC name of 1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine (CID 79618501) is 1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine.
What is the SMILES notation for 1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine?
The canonical SMILES for 1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine is CCCNC1CCCC(N(CC(F)(F)F)C2CC2)C1.
What is the InChIKey of 1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine?
The InChIKey is LMBOIMDQVCTSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2/c1-2-8-18-11-4-3-5-13(9-11)19(12-6-7-12)10-14(15,16)17/h11-13,18H,2-10H2,1H3.
What are the key properties of 1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine?
1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine has a molecular weight of 278.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclopropyl-3-N-propyl-1-N-(2,2,2-trifluoroethyl)cyclohexane-1,3-diamine is sourced from PubChem (CID 79618501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).