N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine

C14H27F3N2 — CID 64756068

IUPACN',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
SMILESCCN(CC)CCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2/c1-3-19(4-2)11-5-10-18-13-8-6-12(7-9-13)14(15,16)17/h12-13,18H,3-11H2,1-2H3
InChIKeyCXASYTYWRJBSRL-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.43
Rot. Bonds7

About N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine

N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine (PubChem CID 64756068) has the molecular formula C14H27F3N2 and a molecular weight of 280.38 g/mol. Its IUPAC name is N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
PubChem CID64756068
Molecular FormulaC14H27F3N2
Molecular Weight280.38 g/mol
Exact Mass280.21
IUPAC NameN',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine
SMILESCCN(CC)CCCNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C14H27F3N2/c1-3-19(4-2)11-5-10-18-13-8-6-12(7-9-13)14(15,16)17/h12-13,18H,3-11H2,1-2H3
InChIKeyCXASYTYWRJBSRL-UHFFFAOYSA-N
XLogP3.43
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 ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-cyclopropyl-N',N'-diethylpropane-1,3-diamine
CID 60866749
N-cyclopropyl-N',N'-diethylpentane-1,5-diamine
CID 62438484
N',N'-dimethyl-N-[4-(trifluoromethyl)cyclohexyl]butane-1,4-diamine
CID 64754071
N-cyclopropyl-N'-ethyl-N'-propylpropane-1,3-diamine
CID 60867670
N',N'-diethyl-N-(4-propylcycloheptyl)propane-1,3-diamine
CID 65087423
2-[3-(cyclopropylamino)propyl-ethylamino]ethanol
CID 61387148
1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)cyclohexyl]pentane-1,4-diamine
CID 64754640
N-(4-methoxybutyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64755681
N-(2-ethoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 64753627
N-(4-chlorocyclohexyl)-N',N'-diethylethane-1,2-diamine
CID 107913675
N',N'-dibutyl-N-cyclopentylpropane-1,3-diamine
CID 55087820
4-[3-(diethylamino)propylamino]piperidine-1-carboxamide
CID 43763196

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine?
The IUPAC name of N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine (CID 64756068) is N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine.
What is the SMILES notation for N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine?
The canonical SMILES for N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine is CCN(CC)CCCNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine?
The InChIKey is CXASYTYWRJBSRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27F3N2/c1-3-19(4-2)11-5-10-18-13-8-6-12(7-9-13)14(15,16)17/h12-13,18H,3-11H2,1-2H3.
What are the key properties of N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine?
N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine has a molecular weight of 280.38 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-[4-(trifluoromethyl)cyclohexyl]propane-1,3-diamine is sourced from PubChem (CID 64756068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).