4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine

C11H21F3N2 — CID 62807259

IUPAC4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
SMILESCCCN(CC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C11H21F3N2/c1-2-7-16(8-11(12,13)14)10-5-3-9(15)4-6-10/h9-10H,2-8,15H2,1H3
InChIKeyVMLXEWNSOOIQIV-UHFFFAOYSA-N
MW238.30 g/mol
LogP2.53
Rot. Bonds4

About 4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine

4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine (PubChem CID 62807259) has the molecular formula C11H21F3N2 and a molecular weight of 238.30 g/mol. Its IUPAC name is 4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
PubChem CID62807259
Molecular FormulaC11H21F3N2
Molecular Weight238.30 g/mol
Exact Mass238.17
IUPAC Name4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine
SMILESCCCN(CC(F)(F)F)C1CCC(N)CC1
InChIInChI=1S/C11H21F3N2/c1-2-7-16(8-11(12,13)14)10-5-3-9(15)4-6-10/h9-10H,2-8,15H2,1H3
InChIKeyVMLXEWNSOOIQIV-UHFFFAOYSA-N
XLogP2.53
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.30
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-N-propyl-3-N-(2,2,2-trifluoroethyl)cyclopentane-1,3-diamine
CID 79467698
N-propyl-N-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 60806813
4-[[cyclopropyl(propyl)amino]methyl]cyclohexan-1-amine
CID 60850888
4-N-(2-methylpropyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112208
4-N-but-3-enyl-4-N-propylcyclohexane-1,4-diamine
CID 79111807
N-propyl-N-(2,2,2-trifluoroethyl)pyrrolidin-3-amine;hydrochloride
CID 119934792
2-[(4-aminocyclohexyl)-propylamino]acetamide
CID 79111803
3-[propyl(2,2,2-trifluoroethyl)amino]cyclopentan-1-one
CID 79644095
4-N-(3-methoxy-3-methylbutyl)-4-N-propylcyclohexane-1,4-diamine
CID 103034869
4-N-(2-butoxyethyl)-4-N-propylcyclohexane-1,4-diamine
CID 79112173
N-(4-aminocyclohexyl)-2,2,2-trifluoro-N-propylacetamide
CID 79112531
2-(aminomethyl)-N-propyl-N-(2,2,2-trifluoroethyl)cyclobutan-1-amine
CID 80997965

Frequently Asked Questions

What is the IUPAC name of 4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine (CID 62807259) is 4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine is CCCN(CC(F)(F)F)C1CCC(N)CC1.
What is the InChIKey of 4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine?
The InChIKey is VMLXEWNSOOIQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2/c1-2-7-16(8-11(12,13)14)10-5-3-9(15)4-6-10/h9-10H,2-8,15H2,1H3.
What are the key properties of 4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine?
4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine has a molecular weight of 238.30 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-propyl-4-N-(2,2,2-trifluoroethyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 62807259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).