(3-aminocyclopentyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride

C13H24Cl2F3N3O — CID 119844283

IUPAC(3-aminocyclopentyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)N2CCCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H22F3N3O.2ClH/c14-13(15,16)9-18-4-1-5-19(7-6-18)12(20)10-2-3-11(17)8-10;;/h10-11H,1-9,17H2;2*1H
InChIKeyRFAFHVHMEFEHOZ-UHFFFAOYSA-N
MW366.26 g/mol
LogP2.05
Rot. Bonds2

About (3-aminocyclopentyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride

(3-aminocyclopentyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride (PubChem CID 119844283) has the molecular formula C13H24Cl2F3N3O and a molecular weight of 366.26 g/mol. Its IUPAC name is (3-aminocyclopentyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name(3-aminocyclopentyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride
PubChem CID119844283
Molecular FormulaC13H24Cl2F3N3O
Molecular Weight366.26 g/mol
Exact Mass365.12
IUPAC Name(3-aminocyclopentyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride
SMILESCl.Cl.NC1CCC(C(=O)N2CCCN(CC(F)(F)F)CC2)C1
InChIInChI=1S/C13H22F3N3O.2ClH/c14-13(15,16)9-18-4-1-5-19(7-6-18)12(20)10-2-3-11(17)8-10;;/h10-11H,1-9,17H2;2*1H
InChIKeyRFAFHVHMEFEHOZ-UHFFFAOYSA-N
XLogP2.05
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-aminocyclopentyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride with MolForge

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Related Compounds

cyclobutyl-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone
CID 78870570
(3-aminocyclopentyl)-(azetidin-1-yl)methanone
CID 130546940
2-[4-(3-aminocyclopentanecarbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone
CID 119844119
[(1S,3S)-3-aminocyclopentyl]-pyrrolidin-1-ylmethanone
CID 97030843
2-[4-(3-aminocyclohexanecarbonyl)-1,4-diazepan-1-yl]-1-pyrrolidin-1-ylethanone;dihydrochloride
CID 119844122
1-[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-2-pyrrolidin-1-ylethanone
CID 119876001
[4-(3-aminocyclopentanecarbonyl)piperazin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119755471
(3-aminocyclopentyl)-[4-(2-methylpropyl)piperazin-1-yl]methanone;dihydrochloride
CID 119831557
(3-aminocyclopentyl)-[4-(oxolan-2-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 66008772
(3-aminocyclohexyl)-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]methanone
CID 119859687
(3-aminocyclohexyl)-(azepan-1-yl)methanone;hydrochloride
CID 119669540
piperidin-4-yl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone
CID 61259794

Frequently Asked Questions

What is the IUPAC name of (3-aminocyclopentyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride?
The IUPAC name of (3-aminocyclopentyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride (CID 119844283) is (3-aminocyclopentyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride.
What is the SMILES notation for (3-aminocyclopentyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride?
The canonical SMILES for (3-aminocyclopentyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride is Cl.Cl.NC1CCC(C(=O)N2CCCN(CC(F)(F)F)CC2)C1.
What is the InChIKey of (3-aminocyclopentyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride?
The InChIKey is RFAFHVHMEFEHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N3O.2ClH/c14-13(15,16)9-18-4-1-5-19(7-6-18)12(20)10-2-3-11(17)8-10;;/h10-11H,1-9,17H2;2*1H.
What are the key properties of (3-aminocyclopentyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride?
(3-aminocyclopentyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride has a molecular weight of 366.26 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminocyclopentyl)-[4-(2,2,2-trifluoroethyl)-1,4-diazepan-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119844283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).